NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
487129 | 2l1r | 17103 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2l1r save_distance_constraint_statistics_1 _Distance_constraint_stats_list.Sf_category distance_constraint_statistics _Distance_constraint_stats_list.Constraint_list_ID 1 _Distance_constraint_stats_list.Constraint_count 704 _Distance_constraint_stats_list.Viol_count 803 _Distance_constraint_stats_list.Viol_total 931.222 _Distance_constraint_stats_list.Viol_max 0.739 _Distance_constraint_stats_list.Viol_rms 0.0212 _Distance_constraint_stats_list.Viol_average_all_restraints 0.0033 _Distance_constraint_stats_list.Viol_average_violations_only 0.0580 _Distance_constraint_stats_list.Cutoff_violation_report 0.500 _Distance_constraint_stats_list.Details ; Description of the tags in this list: * 1 * Administrative tag * 2 * Administrative tag * 3 * Administrative tag * 4 * ID of the restraint list. * 5 * Number of restraints in list. * 6 * Number of violated restraints (each model violation is used). * 7 * Sum of violations in Angstrom. * 8 * Maximum violation of a restraint without averaging in any way. * 9 * Rms of violations over all restraints. * 10 * Average violation over all restraints. * 11 * Average violation over violated restraints. This violation is averaged over only those models in which the restraint is violated. These definitions are from: Doreleijers, et al., J. Mol. Biol. 281, 149-164 (1998). * 12 * Threshold for reporting violations (in Angstrom) in the last columns of the next table. * 13 * This tag Description of the tags in the per residue table below: * 1 * Chain identifier (can be absent if none defined) * 2 * Residue number * 3 * Residue name * 4 * Maximum violation in ensemble of models (without any averaging) * 5 * Model number with the maximum violation * 6 * Number of models with a violation above cutoff * 7 * List of models (1 character per model) with a violation above cutoff. An '*' marks a violation above the cutoff. A '+' indicates the largest violation above the cutoff and a '-' marks the smallest violation over cutoff. For models 5, 15, 25,... a ' ' is replaced by a '.'. For models 10, 20, 30,... a ' ' is replaced by a digit starting at 1. * 8 * Administrative tag * 9 * Administrative tag Description of the tags in the per restraint table below: * 1 * Restraint ID within restraint list. First node, FIRST member, first atom's: * 2 * Chain identifier (can be absent if none defined) * 3 * Residue number * 4 * Residue name * 5 * Name of (pseudo-)atom First node, SECOND member, first atom's: * 6 * Chain identifier (can be absent if none defined) * 7 * Residue number * 8 * Residue name * 9 * Name of (pseudo-)atom FIRST node's: * 10 * Target distance value (Angstrom) * 11 * Lower bound distance (Angstrom) * 12 * Upper bound distance (Angstrom) * 13 * Average distance in ensemble of models * 14 * Minimum distance in ensemble of models * 15 * Maximum distance in ensemble of models * 16 * Maximum violation (without any averaging) * 17 * Model number with the maximum violation * 18 * Number of models with a violation above cutoff * 19 * List of models with a violation above cutoff. See description above. * 20 * Administrative tag * 21 * Administrative tag ; loop_ _Distance_constraint_stats_per_res.Atom_entity_assembly_ID _Distance_constraint_stats_per_res.Atom_comp_index_ID _Distance_constraint_stats_per_res.Atom_comp_ID _Distance_constraint_stats_per_res.Total_violation _Distance_constraint_stats_per_res.Max_violation _Distance_constraint_stats_per_res.Max_violation_model_number _Distance_constraint_stats_per_res.Over_cutoff_viol_count _Distance_constraint_stats_per_res.Over_cutoff_viol_per_model 1 3 ASP 1.213 0.216 13 0 "[ . 1 . 2]" 1 4 ILE 1.666 0.216 13 0 "[ . 1 . 2]" 1 5 TYR 0.205 0.043 11 0 "[ . 1 . 2]" 1 6 LYS 1.347 0.095 7 0 "[ . 1 . 2]" 1 7 ALA 0.149 0.060 10 0 "[ . 1 . 2]" 1 8 ALA 0.787 0.113 20 0 "[ . 1 . 2]" 1 9 VAL 1.037 0.072 1 0 "[ . 1 . 2]" 1 10 GLU 0.207 0.072 7 0 "[ . 1 . 2]" 1 11 GLN 0.716 0.250 8 0 "[ . 1 . 2]" 1 12 LEU 1.590 0.144 7 0 "[ . 1 . 2]" 1 13 THR 4.927 0.327 5 0 "[ . 1 . 2]" 1 14 GLU 3.122 0.185 1 0 "[ . 1 . 2]" 1 15 GLU 0.000 0.000 . 0 "[ . 1 . 2]" 1 16 GLN 4.578 0.270 7 0 "[ . 1 . 2]" 1 17 LYS 3.584 0.175 9 0 "[ . 1 . 2]" 1 18 ASN 0.250 0.135 17 0 "[ . 1 . 2]" 1 19 GLU 0.424 0.094 5 0 "[ . 1 . 2]" 1 20 PHE 1.738 0.142 1 0 "[ . 1 . 2]" 1 21 LYS 0.602 0.120 3 0 "[ . 1 . 2]" 1 22 ALA 0.543 0.120 3 0 "[ . 1 . 2]" 1 23 ALA 0.508 0.071 20 0 "[ . 1 . 2]" 1 24 PHE 0.345 0.046 11 0 "[ . 1 . 2]" 1 25 ASP 0.009 0.009 14 0 "[ . 1 . 2]" 1 26 ILE 0.197 0.078 1 0 "[ . 1 . 2]" 1 27 PHE 0.245 0.048 10 0 "[ . 1 . 2]" 1 28 VAL 0.545 0.079 2 0 "[ . 1 . 2]" 1 29 LEU 0.910 0.120 9 0 "[ . 1 . 2]" 1 30 GLY 0.000 0.000 . 0 "[ . 1 . 2]" 1 31 ALA 1.403 0.079 2 0 "[ . 1 . 2]" 1 32 GLU 0.195 0.094 18 0 "[ . 1 . 2]" 1 33 ASP 0.177 0.094 18 0 "[ . 1 . 2]" 1 34 GLY 0.107 0.044 13 0 "[ . 1 . 2]" 1 35 CYS 0.341 0.070 16 0 "[ . 1 . 2]" 1 36 ILE 0.458 0.169 6 0 "[ . 1 . 2]" 1 37 SER 0.802 0.739 12 1 "[ . 1 + . 2]" 1 38 THR 0.416 0.086 11 0 "[ . 1 . 2]" 1 39 LYS 0.000 0.000 . 0 "[ . 1 . 2]" 1 40 GLU 0.436 0.169 6 0 "[ . 1 . 2]" 1 41 LEU 4.773 0.191 11 0 "[ . 1 . 2]" 1 42 GLY 2.852 0.191 11 0 "[ . 1 . 2]" 1 43 LYS 0.054 0.054 2 0 "[ . 1 . 2]" 1 44 VAL 0.259 0.081 16 0 "[ . 1 . 2]" 1 45 MET 0.978 0.209 9 0 "[ . 1 . 2]" 1 46 ARG 0.000 0.000 . 0 "[ . 1 . 2]" 1 47 MET 0.013 0.013 7 0 "[ . 1 . 2]" 1 48 LEU 1.476 0.184 11 0 "[ . 1 . 2]" 1 49 GLY 0.376 0.091 16 0 "[ . 1 . 2]" 1 50 GLN 0.931 0.101 10 0 "[ . 1 . 2]" 1 51 ASN 0.000 0.000 . 0 "[ . 1 . 2]" 1 52 PRO 0.619 0.097 7 0 "[ . 1 . 2]" 1 53 THR 3.839 0.659 18 4 "[ *- 1 . + *]" 1 54 PRO 2.970 0.659 18 4 "[ *- 1 . + *]" 1 55 GLU 0.570 0.095 9 0 "[ . 1 . 2]" 1 56 GLU 0.000 0.000 . 0 "[ . 1 . 2]" 1 57 LEU 3.492 0.183 1 0 "[ . 1 . 2]" 1 58 GLN 1.838 0.136 18 0 "[ . 1 . 2]" 1 59 GLU 0.211 0.058 9 0 "[ . 1 . 2]" 1 60 MET 2.031 0.183 1 0 "[ . 1 . 2]" 1 61 ILE 2.256 0.136 18 0 "[ . 1 . 2]" 1 62 ASP 0.289 0.061 6 0 "[ . 1 . 2]" 1 63 GLU 0.220 0.086 8 0 "[ . 1 . 2]" 1 64 VAL 0.323 0.086 8 0 "[ . 1 . 2]" 1 65 ASP 0.260 0.061 6 0 "[ . 1 . 2]" 1 66 GLU 0.105 0.061 1 0 "[ . 1 . 2]" 1 67 ASP 1.353 0.227 14 0 "[ . 1 . 2]" 1 68 GLY 0.000 0.000 . 0 "[ . 1 . 2]" 1 69 SER 0.000 0.000 . 0 "[ . 1 . 2]" 1 70 GLY 1.905 0.227 14 0 "[ . 1 . 2]" 1 71 THR 1.717 0.739 12 1 "[ . 1 + . 2]" 1 72 VAL 1.789 0.118 9 0 "[ . 1 . 2]" 1 73 ASP 0.038 0.025 9 0 "[ . 1 . 2]" 1 74 PHE 0.895 0.111 2 0 "[ . 1 . 2]" 1 75 ASP 0.791 0.111 2 0 "[ . 1 . 2]" 1 76 GLU 0.378 0.077 17 0 "[ . 1 . 2]" 1 77 PHE 0.029 0.017 9 0 "[ . 1 . 2]" 1 78 LEU 1.123 0.142 1 0 "[ . 1 . 2]" 1 79 VAL 0.267 0.057 4 0 "[ . 1 . 2]" 1 80 MET 0.072 0.034 20 0 "[ . 1 . 2]" 1 81 MET 1.774 0.106 10 0 "[ . 1 . 2]" 1 82 VAL 1.025 0.113 20 0 "[ . 1 . 2]" 1 83 ARG 0.284 0.057 4 0 "[ . 1 . 2]" 1 84 CYS 0.226 0.064 9 0 "[ . 1 . 2]" 1 85 MET 0.055 0.036 2 0 "[ . 1 . 2]" 1 86 LYS 0.000 0.000 . 0 "[ . 1 . 2]" 1 87 ASP 0.000 0.000 . 0 "[ . 1 . 2]" 1 88 ASP 0.000 0.000 . 0 "[ . 1 . 2]" 1 89 SER 0.000 0.000 . 0 "[ . 1 . 2]" 2 3 VAL 0.098 0.098 6 0 "[ . 1 . 2]" 2 4 ARG 0.000 0.000 . 0 "[ . 1 . 2]" 2 5 ILE 1.578 0.182 18 0 "[ . 1 . 2]" 2 6 SER 0.000 0.000 . 0 "[ . 1 . 2]" 2 7 ALA 0.241 0.064 9 0 "[ . 1 . 2]" 2 8 ASP 0.000 0.000 . 0 "[ . 1 . 2]" 2 9 ALA 0.000 0.000 . 0 "[ . 1 . 2]" 2 10 MET 0.047 0.026 1 0 "[ . 1 . 2]" 2 11 MET 0.020 0.012 16 0 "[ . 1 . 2]" 2 12 GLN 0.000 0.000 . 0 "[ . 1 . 2]" 2 13 ALA 0.110 0.081 16 0 "[ . 1 . 2]" 2 14 LEU 0.054 0.039 15 0 "[ . 1 . 2]" 2 15 LEU 0.080 0.039 15 0 "[ . 1 . 2]" 2 16 GLY 0.124 0.055 2 0 "[ . 1 . 2]" 2 17 ALA 0.000 0.000 . 0 "[ . 1 . 2]" 2 19 ALA 0.143 0.055 2 0 "[ . 1 . 2]" stop_ loop_ _Distance_constraint_stats.Restraint_ID _Distance_constraint_stats.Atom_1_entity_assembly_ID _Distance_constraint_stats.Atom_1_comp_index_ID _Distance_constraint_stats.Atom_1_comp_ID _Distance_constraint_stats.Atom_1_ID _Distance_constraint_stats.Atom_2_entity_assembly_ID _Distance_constraint_stats.Atom_2_comp_index_ID _Distance_constraint_stats.Atom_2_comp_ID _Distance_constraint_stats.Atom_2_ID _Distance_constraint_stats.Node_1_distance_val _Distance_constraint_stats.Node_1_distance_lower_bound_val _Distance_constraint_stats.Node_1_distance_upper_bound_val _Distance_constraint_stats.Distance_average _Distance_constraint_stats.Distance_minimum _Distance_constraint_stats.Distance_maximum _Distance_constraint_stats.Max_violation _Distance_constraint_stats.Max_violation_model_number _Distance_constraint_stats.Over_cutoff_violation_count _Distance_constraint_stats.Over_cutoff_viol_per_model _Distance_constraint_stats.Distance_constraint_stats_ID 1 1 3 ASP H 1 4 ILE H 6.000 . 6.000 3.026 1.896 4.425 . 0 0 "[ . 1 . 2]" 1 2 1 3 ASP HA 1 4 ILE H 4.450 . 4.450 3.055 2.227 3.596 . 0 0 "[ . 1 . 2]" 1 3 1 3 ASP HA 1 6 LYS QB 4.020 . 4.020 3.089 1.937 4.115 0.095 7 0 "[ . 1 . 2]" 1 4 1 3 ASP QB 1 4 ILE H 4.810 . 4.810 3.301 1.972 3.946 . 0 0 "[ . 1 . 2]" 1 5 1 3 ASP QB 1 4 ILE QG 4.250 . 4.250 3.984 2.981 4.466 0.216 13 0 "[ . 1 . 2]" 1 6 1 4 ILE H 1 4 ILE HB 3.910 . 3.910 2.513 2.201 3.583 . 0 0 "[ . 1 . 2]" 1 7 1 4 ILE H 1 4 ILE QG 4.510 . 4.510 2.543 1.910 4.023 . 0 0 "[ . 1 . 2]" 1 8 1 4 ILE H 1 4 ILE QG 3.720 . 3.720 2.213 1.812 2.729 . 0 0 "[ . 1 . 2]" 1 9 1 4 ILE H 1 5 TYR H . . 4.850 2.630 2.199 3.031 . 0 0 "[ . 1 . 2]" 1 10 1 4 ILE HA 1 4 ILE MD 4.590 . 4.590 3.550 1.973 4.133 . 0 0 "[ . 1 . 2]" 1 11 1 4 ILE HA 1 4 ILE QG . . 3.090 2.175 2.045 2.527 . 0 0 "[ . 1 . 2]" 1 12 1 4 ILE HA 1 5 TYR H 5.230 . 5.230 3.586 3.534 3.609 . 0 0 "[ . 1 . 2]" 1 13 1 4 ILE HA 1 7 ALA MB 3.260 . 3.260 2.932 2.444 3.320 0.060 10 0 "[ . 1 . 2]" 1 14 1 4 ILE HB 1 4 ILE MD 3.100 . 3.100 2.135 1.906 3.185 0.085 10 0 "[ . 1 . 2]" 1 15 1 4 ILE HB 1 5 TYR H 4.730 . 4.730 2.784 2.170 3.903 . 0 0 "[ . 1 . 2]" 1 16 1 4 ILE MD 1 4 ILE QG 2.200 . 2.200 1.832 1.716 1.902 0.084 10 0 "[ . 1 . 2]" 1 17 1 4 ILE MD 1 5 TYR QE 5.620 . 5.620 4.861 2.592 5.659 0.039 10 0 "[ . 1 . 2]" 1 18 1 4 ILE QG 1 5 TYR H 4.640 . 4.640 2.820 1.884 3.352 . 0 0 "[ . 1 . 2]" 1 19 1 4 ILE QG 1 5 TYR H 4.950 . 4.950 3.821 1.903 4.275 . 0 0 "[ . 1 . 2]" 1 20 1 4 ILE QG 1 6 LYS H 5.680 . 5.680 5.376 4.081 5.770 0.090 4 0 "[ . 1 . 2]" 1 21 1 4 ILE MG 1 5 TYR QD 6.000 . 6.000 3.825 1.929 4.851 . 0 0 "[ . 1 . 2]" 1 22 1 4 ILE MG 1 5 TYR QE 5.910 . 5.910 4.335 2.983 5.570 . 0 0 "[ . 1 . 2]" 1 23 1 5 TYR H 1 6 LYS H . . 4.120 2.608 2.229 2.807 . 0 0 "[ . 1 . 2]" 1 24 1 5 TYR HA 1 5 TYR QD 4.100 . 4.100 2.427 1.970 2.975 . 0 0 "[ . 1 . 2]" 1 25 1 5 TYR HA 1 5 TYR QE 6.000 . 6.000 4.268 4.126 4.505 . 0 0 "[ . 1 . 2]" 1 26 1 5 TYR HA 1 6 LYS H 5.130 . 5.130 3.557 3.488 3.587 . 0 0 "[ . 1 . 2]" 1 27 1 5 TYR HA 1 8 ALA H 5.700 . 5.700 3.583 3.329 4.080 . 0 0 "[ . 1 . 2]" 1 28 1 5 TYR HA 1 8 ALA MB 3.330 . 3.330 2.969 2.446 3.366 0.036 19 0 "[ . 1 . 2]" 1 29 1 5 TYR QB 1 6 LYS H 4.670 . 4.670 2.702 2.504 2.932 . 0 0 "[ . 1 . 2]" 1 30 1 5 TYR QB 1 79 VAL QG . . 4.050 2.782 1.918 3.997 . 0 0 "[ . 1 . 2]" 1 31 1 5 TYR QB 1 82 VAL QG 4.190 . 4.190 3.195 1.956 4.233 0.043 11 0 "[ . 1 . 2]" 1 32 1 5 TYR QD 1 8 ALA MB 5.210 . 5.210 3.885 3.382 4.804 . 0 0 "[ . 1 . 2]" 1 33 1 5 TYR QD 1 79 VAL QG 5.440 . 5.440 3.780 2.810 5.079 . 0 0 "[ . 1 . 2]" 1 34 1 5 TYR QD 1 82 VAL QG . . 4.100 2.426 1.817 3.697 . 0 0 "[ . 1 . 2]" 1 35 1 5 TYR QE 1 8 ALA MB 6.000 . 6.000 5.202 4.654 5.862 . 0 0 "[ . 1 . 2]" 1 36 1 5 TYR QE 1 82 VAL QG 5.200 . 5.200 3.437 2.269 4.992 . 0 0 "[ . 1 . 2]" 1 37 1 5 TYR QE 1 83 ARG HA 5.120 . 5.120 2.771 1.818 4.532 . 0 0 "[ . 1 . 2]" 1 38 1 6 LYS H 1 6 LYS QB 2.960 . 2.960 2.056 1.923 2.218 . 0 0 "[ . 1 . 2]" 1 39 1 6 LYS H 1 6 LYS HE3 4.810 . 4.810 4.398 2.959 4.887 0.077 19 0 "[ . 1 . 2]" 1 40 1 6 LYS H 1 6 LYS QG 3.980 . 3.980 3.683 2.675 3.942 . 0 0 "[ . 1 . 2]" 1 41 1 6 LYS HA 1 6 LYS QB 2.740 . 2.740 2.490 2.370 2.554 . 0 0 "[ . 1 . 2]" 1 42 1 6 LYS HA 1 6 LYS HG3 3.680 . 3.680 2.499 1.948 3.319 . 0 0 "[ . 1 . 2]" 1 43 1 6 LYS HA 1 7 ALA H 5.120 . 5.120 3.568 3.531 3.594 . 0 0 "[ . 1 . 2]" 1 44 1 6 LYS HA 1 9 VAL HB . . 3.130 2.767 2.038 3.163 0.033 3 0 "[ . 1 . 2]" 1 45 1 6 LYS QB 1 6 LYS QZ 4.250 . 4.250 2.966 1.849 3.901 . 0 0 "[ . 1 . 2]" 1 46 1 6 LYS QG 1 9 VAL QG 4.120 . 4.120 3.258 2.278 3.689 . 0 0 "[ . 1 . 2]" 1 47 1 6 LYS HG3 1 9 VAL QG 3.810 . 3.810 3.729 3.167 3.882 0.072 1 0 "[ . 1 . 2]" 1 48 1 7 ALA H 1 7 ALA MB 2.610 . 2.610 2.112 1.976 2.168 . 0 0 "[ . 1 . 2]" 1 49 1 7 ALA H 1 8 ALA H 4.310 . 4.310 2.788 2.642 2.946 . 0 0 "[ . 1 . 2]" 1 50 1 7 ALA HA 1 7 ALA MB 2.490 . 2.490 2.151 2.128 2.163 . 0 0 "[ . 1 . 2]" 1 51 1 7 ALA MB 1 8 ALA H 3.200 . 3.200 2.502 2.346 2.667 . 0 0 "[ . 1 . 2]" 1 52 1 8 ALA H 1 8 ALA MB 2.980 . 2.980 2.061 1.935 2.156 . 0 0 "[ . 1 . 2]" 1 53 1 8 ALA H 1 9 VAL H . . 4.130 2.674 2.551 2.768 . 0 0 "[ . 1 . 2]" 1 54 1 8 ALA H 1 9 VAL HB 5.720 . 5.720 4.654 4.481 4.841 . 0 0 "[ . 1 . 2]" 1 55 1 8 ALA HA 1 8 ALA MB . . 2.620 2.143 2.117 2.159 . 0 0 "[ . 1 . 2]" 1 56 1 8 ALA MB 1 9 VAL H 3.280 . 3.280 2.598 2.403 3.038 . 0 0 "[ . 1 . 2]" 1 57 1 8 ALA MB 1 82 VAL HB 3.450 . 3.450 3.168 1.843 3.563 0.113 20 0 "[ . 1 . 2]" 1 58 1 8 ALA MB 1 82 VAL QG 2.730 . 2.730 2.082 1.775 2.772 0.042 1 0 "[ . 1 . 2]" 1 59 1 9 VAL H 1 9 VAL HB 3.210 . 3.210 2.298 2.089 2.507 . 0 0 "[ . 1 . 2]" 1 60 1 9 VAL H 1 9 VAL QG 2.820 . 2.820 2.264 1.959 2.642 . 0 0 "[ . 1 . 2]" 1 61 1 9 VAL H 1 10 GLU H 4.690 . 4.690 2.665 2.392 2.840 . 0 0 "[ . 1 . 2]" 1 62 1 9 VAL HA 1 9 VAL QG 3.010 . 3.010 2.094 2.004 2.170 . 0 0 "[ . 1 . 2]" 1 63 1 9 VAL HA 1 10 GLU H 5.810 . 5.810 3.566 3.499 3.594 . 0 0 "[ . 1 . 2]" 1 64 1 9 VAL HA 1 11 GLN H 6.000 . 6.000 4.327 3.962 4.923 . 0 0 "[ . 1 . 2]" 1 65 1 9 VAL HA 1 12 LEU H 5.200 . 5.200 4.246 3.285 5.245 0.045 18 0 "[ . 1 . 2]" 1 66 1 9 VAL HA 1 12 LEU QD 3.590 . 3.590 2.051 1.766 2.835 0.034 18 0 "[ . 1 . 2]" 1 67 1 9 VAL HA 1 12 LEU HG 3.830 . 3.830 3.330 2.113 3.879 0.049 14 0 "[ . 1 . 2]" 1 68 1 9 VAL HA 1 82 VAL QG 4.110 . 4.110 3.410 2.025 4.170 0.060 9 0 "[ . 1 . 2]" 1 69 1 9 VAL HB 1 10 GLU H 3.700 . 3.700 2.692 2.355 3.750 0.050 18 0 "[ . 1 . 2]" 1 70 1 9 VAL QG 1 10 GLU H 4.000 . 4.000 3.048 2.212 3.354 . 0 0 "[ . 1 . 2]" 1 71 1 9 VAL QG 1 10 GLU HA 4.070 . 4.070 3.426 2.917 3.861 . 0 0 "[ . 1 . 2]" 1 72 1 9 VAL QG 1 78 LEU QD . . 2.840 2.391 1.793 2.880 0.040 3 0 "[ . 1 . 2]" 1 73 1 10 GLU H 1 10 GLU QB 2.900 . 2.900 2.138 1.948 2.296 . 0 0 "[ . 1 . 2]" 1 74 1 10 GLU H 1 10 GLU QG 4.600 . 4.600 2.798 2.240 3.695 . 0 0 "[ . 1 . 2]" 1 75 1 10 GLU H 1 10 GLU HG3 . . 3.860 3.073 2.260 3.932 0.072 7 0 "[ . 1 . 2]" 1 76 1 10 GLU H 1 11 GLN H 4.300 . 4.300 2.608 2.387 2.812 . 0 0 "[ . 1 . 2]" 1 77 1 10 GLU HA 1 10 GLU QB 2.610 . 2.610 2.470 2.398 2.544 . 0 0 "[ . 1 . 2]" 1 78 1 10 GLU HA 1 11 GLN H 4.520 . 4.520 3.533 3.363 3.604 . 0 0 "[ . 1 . 2]" 1 79 1 10 GLU QB 1 10 GLU HG2 2.790 . 2.790 2.281 2.172 2.486 . 0 0 "[ . 1 . 2]" 1 80 1 10 GLU QB 1 10 GLU HG3 2.600 . 2.600 2.414 2.199 2.527 . 0 0 "[ . 1 . 2]" 1 81 1 10 GLU QB 1 11 GLN H 3.800 . 3.800 2.793 2.417 3.315 . 0 0 "[ . 1 . 2]" 1 82 1 11 GLN H 1 11 GLN HA 3.010 . 3.010 2.941 2.847 3.005 . 0 0 "[ . 1 . 2]" 1 83 1 11 GLN H 1 11 GLN QB . . 3.340 2.175 1.941 3.067 . 0 0 "[ . 1 . 2]" 1 84 1 11 GLN H 1 11 GLN QG 3.720 . 3.720 3.276 2.133 3.970 0.250 8 0 "[ . 1 . 2]" 1 85 1 11 GLN H 1 12 LEU QB 6.000 . 6.000 4.512 3.963 5.253 . 0 0 "[ . 1 . 2]" 1 86 1 11 GLN HA 1 11 GLN QG 3.030 . 3.030 2.187 1.945 3.277 0.247 20 0 "[ . 1 . 2]" 1 87 1 11 GLN HA 1 12 LEU H 4.950 . 4.950 3.202 2.418 3.603 . 0 0 "[ . 1 . 2]" 1 88 1 12 LEU H 1 12 LEU QB 3.510 . 3.510 2.359 1.970 3.018 . 0 0 "[ . 1 . 2]" 1 89 1 12 LEU H 1 12 LEU HG 3.500 . 3.500 2.670 1.811 3.526 0.026 5 0 "[ . 1 . 2]" 1 90 1 12 LEU H 1 13 THR H 6.000 . 6.000 4.334 2.510 4.716 . 0 0 "[ . 1 . 2]" 1 91 1 12 LEU QB 1 12 LEU QD . . 2.840 1.872 1.801 1.941 . 0 0 "[ . 1 . 2]" 1 92 1 12 LEU QD 1 13 THR H 3.890 . 3.890 2.977 1.952 4.034 0.144 7 0 "[ . 1 . 2]" 1 93 1 12 LEU QD 1 16 GLN QB 3.450 . 3.450 1.997 1.756 2.644 0.044 14 0 "[ . 1 . 2]" 1 94 1 12 LEU QD 1 16 GLN QG 3.350 . 3.350 3.026 2.048 3.482 0.132 14 0 "[ . 1 . 2]" 1 95 1 12 LEU QD 1 16 GLN HG3 4.960 . 4.960 3.771 2.379 4.221 . 0 0 "[ . 1 . 2]" 1 96 1 12 LEU QD 1 20 PHE QD . . 3.150 2.940 2.388 3.255 0.105 20 0 "[ . 1 . 2]" 1 97 1 12 LEU QD 1 78 LEU QB 3.490 . 3.490 3.092 2.277 3.626 0.136 18 0 "[ . 1 . 2]" 1 98 1 12 LEU QD 1 78 LEU QD . . 3.110 2.236 1.670 2.934 0.130 18 0 "[ . 1 . 2]" 1 99 1 13 THR H 1 16 GLN H . . 5.300 3.889 3.460 4.890 . 0 0 "[ . 1 . 2]" 1 100 1 13 THR H 1 16 GLN HG3 4.860 . 4.860 4.702 4.099 5.014 0.154 7 0 "[ . 1 . 2]" 1 101 1 13 THR H 1 17 LYS H 5.980 . 5.980 4.328 2.759 5.498 . 0 0 "[ . 1 . 2]" 1 102 1 13 THR HA 1 13 THR HB 2.840 . 2.840 2.609 2.320 3.000 0.160 11 0 "[ . 1 . 2]" 1 103 1 13 THR HA 1 13 THR MG 2.850 . 2.850 2.406 2.071 3.177 0.327 5 0 "[ . 1 . 2]" 1 104 1 13 THR HA 1 14 GLU H 4.010 . 4.010 2.398 2.277 2.618 . 0 0 "[ . 1 . 2]" 1 105 1 13 THR HA 1 14 GLU HA 4.230 . 4.230 4.363 4.327 4.378 0.148 11 0 "[ . 1 . 2]" 1 106 1 13 THR HA 1 15 GLU H 5.360 . 5.360 4.311 4.142 4.555 . 0 0 "[ . 1 . 2]" 1 107 1 13 THR HB 1 14 GLU H 3.860 . 3.860 2.986 2.130 3.907 0.047 5 0 "[ . 1 . 2]" 1 108 1 14 GLU H 1 14 GLU QB 3.760 . 3.760 2.058 1.945 2.183 . 0 0 "[ . 1 . 2]" 1 109 1 14 GLU H 1 14 GLU QG 4.940 . 4.940 3.833 3.430 4.025 . 0 0 "[ . 1 . 2]" 1 110 1 14 GLU H 1 15 GLU H 4.890 . 4.890 2.813 2.727 2.919 . 0 0 "[ . 1 . 2]" 1 111 1 14 GLU HA 1 14 GLU QB 2.780 . 2.780 2.468 2.305 2.551 . 0 0 "[ . 1 . 2]" 1 112 1 14 GLU HA 1 14 GLU HG3 3.280 . 3.280 2.779 2.264 3.465 0.185 1 0 "[ . 1 . 2]" 1 113 1 14 GLU QB 1 15 GLU H . . 3.270 2.680 2.378 2.922 . 0 0 "[ . 1 . 2]" 1 114 1 14 GLU QG 1 18 ASN QB 4.430 . 4.430 3.927 2.437 4.467 0.037 12 0 "[ . 1 . 2]" 1 115 1 15 GLU H 1 15 GLU HA . . 3.030 2.862 2.824 2.960 . 0 0 "[ . 1 . 2]" 1 116 1 15 GLU H 1 15 GLU QB . . 3.340 2.309 1.986 2.534 . 0 0 "[ . 1 . 2]" 1 117 1 15 GLU H 1 15 GLU QG 4.070 . 4.070 2.832 2.253 4.013 . 0 0 "[ . 1 . 2]" 1 118 1 15 GLU H 1 16 GLN H 4.150 . 4.150 2.774 2.414 2.910 . 0 0 "[ . 1 . 2]" 1 119 1 15 GLU HA 1 15 GLU HG3 2.870 . 2.870 2.378 2.139 2.781 . 0 0 "[ . 1 . 2]" 1 120 1 15 GLU HA 1 18 ASN QB 3.880 . 3.880 2.993 2.182 3.780 . 0 0 "[ . 1 . 2]" 1 121 1 15 GLU QB 1 15 GLU HG3 2.610 . 2.610 2.500 2.241 2.545 . 0 0 "[ . 1 . 2]" 1 122 1 15 GLU QB 1 16 GLN H 3.390 . 3.390 2.391 2.084 2.821 . 0 0 "[ . 1 . 2]" 1 123 1 16 GLN H 1 16 GLN QE 6.000 . 6.000 4.060 2.675 5.357 . 0 0 "[ . 1 . 2]" 1 124 1 16 GLN H 1 16 GLN QG . . 3.400 2.945 2.355 3.567 0.167 13 0 "[ . 1 . 2]" 1 125 1 16 GLN H 1 16 GLN HG3 3.950 . 3.950 3.090 2.380 3.963 0.013 18 0 "[ . 1 . 2]" 1 126 1 16 GLN H 1 17 LYS H 3.670 . 3.670 2.625 2.373 3.087 . 0 0 "[ . 1 . 2]" 1 127 1 16 GLN HA 1 16 GLN QG 3.800 . 3.800 2.229 1.992 3.002 . 0 0 "[ . 1 . 2]" 1 128 1 16 GLN HA 1 16 GLN HG3 2.950 . 2.950 2.539 2.039 3.220 0.270 7 0 "[ . 1 . 2]" 1 129 1 16 GLN HA 1 17 LYS H 3.360 . 3.360 3.512 3.479 3.535 0.175 9 0 "[ . 1 . 2]" 1 130 1 16 GLN HA 1 19 GLU H 5.140 . 5.140 3.503 3.188 3.888 . 0 0 "[ . 1 . 2]" 1 131 1 16 GLN QB 1 16 GLN HG3 . . 2.730 2.422 2.216 2.549 . 0 0 "[ . 1 . 2]" 1 132 1 16 GLN QB 1 17 LYS H 4.430 . 4.430 2.566 2.218 2.908 . 0 0 "[ . 1 . 2]" 1 133 1 16 GLN QG 1 17 LYS H 4.480 . 4.480 4.200 2.950 4.436 . 0 0 "[ . 1 . 2]" 1 134 1 17 LYS H 1 17 LYS QB 3.070 . 3.070 2.128 1.953 2.588 . 0 0 "[ . 1 . 2]" 1 135 1 17 LYS H 1 17 LYS QD 4.230 . 4.230 3.852 2.628 4.278 0.048 6 0 "[ . 1 . 2]" 1 136 1 17 LYS H 1 17 LYS QG 4.980 . 4.980 3.295 2.026 3.997 . 0 0 "[ . 1 . 2]" 1 137 1 17 LYS H 1 18 ASN QB 5.810 . 5.810 4.387 4.192 4.522 . 0 0 "[ . 1 . 2]" 1 138 1 17 LYS HA 1 17 LYS QG 3.440 . 3.440 2.267 1.949 3.310 . 0 0 "[ . 1 . 2]" 1 139 1 17 LYS HA 1 18 ASN H 4.200 . 4.200 3.577 3.536 3.596 . 0 0 "[ . 1 . 2]" 1 140 1 17 LYS HA 1 20 PHE H 4.910 . 4.910 3.708 3.416 3.984 . 0 0 "[ . 1 . 2]" 1 141 1 17 LYS HA 1 20 PHE QB 3.330 . 3.330 2.960 2.484 3.357 0.027 4 0 "[ . 1 . 2]" 1 142 1 17 LYS HA 1 20 PHE QD 3.510 . 3.510 3.001 2.254 3.536 0.026 6 0 "[ . 1 . 2]" 1 143 1 17 LYS HA 1 74 PHE HZ 5.090 . 5.090 4.081 3.031 5.011 . 0 0 "[ . 1 . 2]" 1 144 1 17 LYS HA 1 78 LEU QD 4.070 . 4.070 2.865 2.151 3.537 . 0 0 "[ . 1 . 2]" 1 145 1 17 LYS QB 1 17 LYS HE3 4.450 . 4.450 3.610 2.043 4.300 . 0 0 "[ . 1 . 2]" 1 146 1 17 LYS QB 1 18 ASN H 3.780 . 3.780 2.542 2.239 3.430 . 0 0 "[ . 1 . 2]" 1 147 1 17 LYS QB 1 18 ASN QB 4.390 . 4.390 3.866 3.559 4.525 0.135 17 0 "[ . 1 . 2]" 1 148 1 17 LYS QB 1 78 LEU QD 4.440 . 4.440 3.852 2.664 4.524 0.084 18 0 "[ . 1 . 2]" 1 149 1 17 LYS QD 1 18 ASN H 5.330 . 5.330 4.588 2.741 5.282 . 0 0 "[ . 1 . 2]" 1 150 1 17 LYS QG 1 78 LEU QD 4.040 . 4.040 2.924 1.839 4.113 0.073 17 0 "[ . 1 . 2]" 1 151 1 18 ASN H 1 18 ASN QB 3.330 . 3.330 2.092 1.947 2.184 . 0 0 "[ . 1 . 2]" 1 152 1 18 ASN H 1 19 GLU H 3.920 . 3.920 2.657 2.497 2.827 . 0 0 "[ . 1 . 2]" 1 153 1 18 ASN HA 1 19 GLU H 5.550 . 5.550 3.568 3.528 3.607 . 0 0 "[ . 1 . 2]" 1 154 1 18 ASN HA 1 20 PHE H 6.000 . 6.000 4.571 4.342 4.864 . 0 0 "[ . 1 . 2]" 1 155 1 18 ASN HA 1 21 LYS H 5.250 . 5.250 3.400 3.109 3.601 . 0 0 "[ . 1 . 2]" 1 156 1 18 ASN HA 1 21 LYS QB . . 3.790 2.372 1.886 3.229 . 0 0 "[ . 1 . 2]" 1 157 1 18 ASN HA 1 22 ALA H 6.000 . 6.000 4.219 3.729 4.605 . 0 0 "[ . 1 . 2]" 1 158 1 18 ASN QB 1 19 GLU H 3.900 . 3.900 2.595 2.309 2.821 . 0 0 "[ . 1 . 2]" 1 159 1 18 ASN QB 1 19 GLU QB 4.590 . 4.590 4.084 3.653 4.337 . 0 0 "[ . 1 . 2]" 1 160 1 18 ASN QB 1 20 PHE H 6.000 . 6.000 4.826 4.571 5.044 . 0 0 "[ . 1 . 2]" 1 161 1 19 GLU H 1 19 GLU QB 3.490 . 3.490 2.069 1.949 2.430 . 0 0 "[ . 1 . 2]" 1 162 1 19 GLU H 1 19 GLU HG2 3.990 . 3.990 3.597 1.976 4.084 0.094 5 0 "[ . 1 . 2]" 1 163 1 19 GLU H 1 19 GLU QG 4.770 . 4.770 3.114 1.962 3.794 . 0 0 "[ . 1 . 2]" 1 164 1 19 GLU H 1 20 PHE H . . 3.950 2.768 2.590 2.907 . 0 0 "[ . 1 . 2]" 1 165 1 19 GLU H 1 20 PHE QB 6.000 . 6.000 4.533 4.316 4.804 . 0 0 "[ . 1 . 2]" 1 166 1 19 GLU HA 1 19 GLU HG2 3.640 . 3.640 2.838 2.081 3.685 0.045 20 0 "[ . 1 . 2]" 1 167 1 19 GLU HA 1 22 ALA H . . 4.210 3.716 3.358 4.017 . 0 0 "[ . 1 . 2]" 1 168 1 19 GLU HA 1 22 ALA MB 3.370 . 3.370 3.077 2.605 3.409 0.039 6 0 "[ . 1 . 2]" 1 169 1 19 GLU QB 1 20 PHE H 4.100 . 4.100 2.585 2.409 3.448 . 0 0 "[ . 1 . 2]" 1 170 1 19 GLU QG 1 20 PHE H 6.000 . 6.000 3.815 2.067 4.465 . 0 0 "[ . 1 . 2]" 1 171 1 20 PHE H 1 20 PHE QB 3.520 . 3.520 2.193 2.030 2.363 . 0 0 "[ . 1 . 2]" 1 172 1 20 PHE H 1 21 LYS H 4.600 . 4.600 2.613 2.463 2.728 . 0 0 "[ . 1 . 2]" 1 173 1 20 PHE HA 1 20 PHE QD 4.360 . 4.360 2.020 1.753 2.429 0.047 20 0 "[ . 1 . 2]" 1 174 1 20 PHE HA 1 21 LYS H 6.000 . 6.000 3.556 3.529 3.575 . 0 0 "[ . 1 . 2]" 1 175 1 20 PHE HA 1 23 ALA MB 3.400 . 3.400 2.514 2.140 3.048 . 0 0 "[ . 1 . 2]" 1 176 1 20 PHE QB 1 21 LYS H 4.430 . 4.430 2.682 2.555 2.855 . 0 0 "[ . 1 . 2]" 1 177 1 20 PHE QB 1 24 PHE H 5.690 . 5.690 4.568 4.315 5.019 . 0 0 "[ . 1 . 2]" 1 178 1 20 PHE QB 1 77 PHE QD 5.090 . 5.090 3.006 2.460 3.788 . 0 0 "[ . 1 . 2]" 1 179 1 20 PHE QB 1 78 LEU QD . . 3.160 2.406 1.963 3.302 0.142 1 0 "[ . 1 . 2]" 1 180 1 20 PHE HB3 1 24 PHE QB 4.000 . 4.000 3.971 3.740 4.045 0.045 5 0 "[ . 1 . 2]" 1 181 1 20 PHE QD 1 23 ALA MB 3.210 . 3.210 3.215 3.009 3.281 0.071 20 0 "[ . 1 . 2]" 1 182 1 20 PHE QD 1 78 LEU MD1 4.880 . 4.880 4.420 2.495 4.885 0.005 2 0 "[ . 1 . 2]" 1 183 1 20 PHE QD 1 78 LEU QD 3.190 . 3.190 2.478 1.985 2.727 . 0 0 "[ . 1 . 2]" 1 184 1 20 PHE QD 1 78 LEU MD2 4.330 . 4.330 2.626 1.988 4.121 . 0 0 "[ . 1 . 2]" 1 185 1 20 PHE QD 1 81 MET QB 6.000 . 6.000 4.075 3.464 4.938 . 0 0 "[ . 1 . 2]" 1 186 1 20 PHE QD 1 81 MET ME 3.420 . 3.420 3.438 3.375 3.525 0.105 1 0 "[ . 1 . 2]" 1 187 1 20 PHE QD 1 81 MET QG 4.440 . 4.440 3.061 2.569 3.700 . 0 0 "[ . 1 . 2]" 1 188 1 20 PHE QE 1 81 MET ME 5.500 . 5.500 2.847 2.133 3.940 . 0 0 "[ . 1 . 2]" 1 189 1 20 PHE QE 1 81 MET QG 5.790 . 5.790 2.649 2.053 3.506 . 0 0 "[ . 1 . 2]" 1 190 1 20 PHE QE 1 85 MET ME 5.100 . 5.100 3.791 2.309 5.096 . 0 0 "[ . 1 . 2]" 1 191 1 20 PHE HZ 1 85 MET ME 5.420 . 5.420 3.533 1.919 5.404 . 0 0 "[ . 1 . 2]" 1 192 1 21 LYS H 1 21 LYS QB 3.710 . 3.710 2.037 1.937 2.206 . 0 0 "[ . 1 . 2]" 1 193 1 21 LYS H 1 21 LYS QD 6.000 . 6.000 4.364 4.246 4.520 . 0 0 "[ . 1 . 2]" 1 194 1 21 LYS H 1 21 LYS QG 4.700 . 4.700 3.486 2.557 3.876 . 0 0 "[ . 1 . 2]" 1 195 1 21 LYS H 1 22 ALA H 4.500 . 4.500 2.751 2.624 2.913 . 0 0 "[ . 1 . 2]" 1 196 1 21 LYS HA 1 21 LYS QD 3.770 . 3.770 2.738 2.089 3.737 . 0 0 "[ . 1 . 2]" 1 197 1 21 LYS HA 1 21 LYS HG3 3.720 . 3.720 3.403 3.085 3.628 . 0 0 "[ . 1 . 2]" 1 198 1 21 LYS HA 1 23 ALA H 4.840 . 4.840 4.619 4.307 4.804 . 0 0 "[ . 1 . 2]" 1 199 1 21 LYS HA 1 24 PHE H 6.000 . 6.000 3.553 3.230 3.971 . 0 0 "[ . 1 . 2]" 1 200 1 21 LYS HA 1 24 PHE QB 3.610 . 3.610 2.505 1.894 3.060 . 0 0 "[ . 1 . 2]" 1 201 1 21 LYS HA 1 74 PHE QD 4.090 . 4.090 3.574 2.715 4.137 0.047 9 0 "[ . 1 . 2]" 1 202 1 21 LYS HA 1 74 PHE QE 3.280 . 3.280 2.109 1.810 2.507 . 0 0 "[ . 1 . 2]" 1 203 1 21 LYS QB 1 22 ALA H 4.200 . 4.200 2.877 2.351 3.541 . 0 0 "[ . 1 . 2]" 1 204 1 21 LYS QB 1 74 PHE QE 4.500 . 4.500 2.798 2.077 3.406 . 0 0 "[ . 1 . 2]" 1 205 1 21 LYS QB 1 74 PHE HZ 4.610 . 4.610 2.813 2.066 3.497 . 0 0 "[ . 1 . 2]" 1 206 1 21 LYS QG 1 22 ALA H 5.800 . 5.800 2.507 1.874 3.026 . 0 0 "[ . 1 . 2]" 1 207 1 21 LYS QG 1 25 ASP H 6.000 . 6.000 4.747 3.983 5.654 . 0 0 "[ . 1 . 2]" 1 208 1 21 LYS HG3 1 22 ALA MB 3.550 . 3.550 3.337 2.789 3.670 0.120 3 0 "[ . 1 . 2]" 1 209 1 22 ALA H 1 22 ALA MB 2.500 . 2.500 2.123 2.005 2.177 . 0 0 "[ . 1 . 2]" 1 210 1 22 ALA H 1 24 PHE H 5.540 . 5.540 4.025 3.733 4.272 . 0 0 "[ . 1 . 2]" 1 211 1 22 ALA H 1 25 ASP H 6.000 . 6.000 4.813 4.594 5.364 . 0 0 "[ . 1 . 2]" 1 212 1 22 ALA HA 1 22 ALA MB 2.360 . 2.360 2.153 2.140 2.161 . 0 0 "[ . 1 . 2]" 1 213 1 22 ALA MB 2 15 LEU QD 4.000 . 4.000 2.819 1.902 3.543 . 0 0 "[ . 1 . 2]" 1 214 1 23 ALA H 1 23 ALA MB 2.880 . 2.880 2.097 1.937 2.180 . 0 0 "[ . 1 . 2]" 1 215 1 23 ALA H 1 24 PHE H 5.550 . 5.550 2.639 2.436 2.800 . 0 0 "[ . 1 . 2]" 1 216 1 23 ALA MB 1 24 PHE H 3.440 . 3.440 2.599 2.265 3.125 . 0 0 "[ . 1 . 2]" 1 217 1 23 ALA MB 2 11 MET ME 4.000 . 4.000 3.303 2.114 4.012 0.012 16 0 "[ . 1 . 2]" 1 218 1 23 ALA MB 2 14 LEU QD 4.000 . 4.000 2.869 1.865 3.910 . 0 0 "[ . 1 . 2]" 1 219 1 23 ALA MB 2 15 LEU QD 4.000 . 4.000 2.733 1.848 3.999 . 0 0 "[ . 1 . 2]" 1 220 1 24 PHE H 1 25 ASP H . . 5.390 2.696 2.297 2.833 . 0 0 "[ . 1 . 2]" 1 221 1 24 PHE H 1 26 ILE H 6.000 . 6.000 4.291 3.692 4.671 . 0 0 "[ . 1 . 2]" 1 222 1 24 PHE HA 1 24 PHE QD 3.970 . 3.970 2.842 2.495 3.062 . 0 0 "[ . 1 . 2]" 1 223 1 24 PHE HA 1 25 ASP H 5.540 . 5.540 3.586 3.564 3.617 . 0 0 "[ . 1 . 2]" 1 224 1 24 PHE HA 1 27 PHE QD 3.640 . 3.640 3.413 2.729 3.686 0.046 11 0 "[ . 1 . 2]" 1 225 1 24 PHE QB 1 25 ASP H 4.700 . 4.700 2.425 2.259 2.640 . 0 0 "[ . 1 . 2]" 1 226 1 24 PHE QD 1 28 VAL QG 4.950 . 4.950 2.993 2.096 3.701 . 0 0 "[ . 1 . 2]" 1 227 1 24 PHE QD 1 36 ILE MD 4.470 . 4.470 2.490 2.047 3.039 . 0 0 "[ . 1 . 2]" 1 228 1 24 PHE QE 1 28 VAL MG1 5.080 . 5.080 2.995 2.346 4.178 . 0 0 "[ . 1 . 2]" 1 229 1 24 PHE QE 1 28 VAL QG 3.490 . 3.490 2.721 2.138 3.438 . 0 0 "[ . 1 . 2]" 1 230 1 24 PHE QE 1 36 ILE MD 3.560 . 3.560 2.307 1.843 2.806 . 0 0 "[ . 1 . 2]" 1 231 1 24 PHE QE 1 36 ILE QG . . 4.790 3.305 2.260 4.323 . 0 0 "[ . 1 . 2]" 1 232 1 24 PHE QE 1 72 VAL QG 4.090 . 4.090 2.821 2.301 3.805 . 0 0 "[ . 1 . 2]" 1 233 1 24 PHE HZ 1 28 VAL QG 5.180 . 5.180 3.226 2.610 4.035 . 0 0 "[ . 1 . 2]" 1 234 1 24 PHE HZ 1 35 CYS HA 4.790 . 4.790 3.060 1.982 4.684 . 0 0 "[ . 1 . 2]" 1 235 1 24 PHE HZ 1 73 ASP HA 3.650 . 3.650 2.772 2.232 3.675 0.025 9 0 "[ . 1 . 2]" 1 236 1 24 PHE HZ 1 74 PHE HA 5.900 . 5.900 3.654 2.819 4.161 . 0 0 "[ . 1 . 2]" 1 237 1 25 ASP H 1 25 ASP QB 3.460 . 3.460 2.133 1.953 2.402 . 0 0 "[ . 1 . 2]" 1 238 1 25 ASP H 1 26 ILE H . . 4.610 2.843 2.635 3.010 . 0 0 "[ . 1 . 2]" 1 239 1 25 ASP HA 1 28 VAL QG . . 2.960 2.378 1.908 2.969 0.009 14 0 "[ . 1 . 2]" 1 240 1 25 ASP QB 1 26 ILE H 5.220 . 5.220 2.638 2.227 3.470 . 0 0 "[ . 1 . 2]" 1 241 1 26 ILE H 1 26 ILE HB 4.060 . 4.060 2.389 2.146 3.585 . 0 0 "[ . 1 . 2]" 1 242 1 26 ILE H 1 26 ILE MD 4.250 . 4.250 3.036 2.398 3.756 . 0 0 "[ . 1 . 2]" 1 243 1 26 ILE H 1 26 ILE QG . . 3.800 2.274 1.894 2.738 . 0 0 "[ . 1 . 2]" 1 244 1 26 ILE H 1 27 PHE H . . 4.440 2.566 2.432 2.677 . 0 0 "[ . 1 . 2]" 1 245 1 26 ILE HA 1 26 ILE QG . . 2.950 2.157 2.033 2.284 . 0 0 "[ . 1 . 2]" 1 246 1 26 ILE HA 1 29 LEU QB 4.460 . 4.460 3.456 2.024 4.538 0.078 1 0 "[ . 1 . 2]" 1 247 1 26 ILE HA 1 29 LEU QD 4.100 . 4.100 2.215 1.810 3.183 . 0 0 "[ . 1 . 2]" 1 248 1 26 ILE HA 1 29 LEU HG 4.180 . 4.180 3.253 2.174 4.221 0.041 20 0 "[ . 1 . 2]" 1 249 1 26 ILE HB 1 27 PHE H 4.100 . 4.100 2.901 2.599 4.027 . 0 0 "[ . 1 . 2]" 1 250 1 26 ILE MD 2 15 LEU QD 4.000 . 4.000 2.832 1.795 4.025 0.025 14 0 "[ . 1 . 2]" 1 251 1 26 ILE MG 2 19 ALA MB 4.000 . 4.000 3.375 1.866 4.018 0.018 11 0 "[ . 1 . 2]" 1 252 1 27 PHE H 1 27 PHE QB 3.830 . 3.830 1.975 1.936 2.073 . 0 0 "[ . 1 . 2]" 1 253 1 27 PHE H 1 28 VAL H . . 5.670 2.673 2.517 2.842 . 0 0 "[ . 1 . 2]" 1 254 1 27 PHE HA 1 27 PHE QD 3.930 . 3.930 2.594 2.118 2.972 . 0 0 "[ . 1 . 2]" 1 255 1 27 PHE HA 1 44 VAL QG 3.820 . 3.820 3.383 1.997 3.804 . 0 0 "[ . 1 . 2]" 1 256 1 27 PHE QB 1 28 VAL H 5.820 . 5.820 2.721 2.208 3.215 . 0 0 "[ . 1 . 2]" 1 257 1 27 PHE QB 1 36 ILE MD 4.490 . 4.490 2.409 1.822 3.193 . 0 0 "[ . 1 . 2]" 1 258 1 27 PHE QD 1 36 ILE MD 4.730 . 4.730 3.301 2.570 4.338 . 0 0 "[ . 1 . 2]" 1 259 1 27 PHE QD 1 36 ILE MG 4.690 . 4.690 3.232 2.096 4.194 . 0 0 "[ . 1 . 2]" 1 260 1 27 PHE QD 1 40 GLU QB 4.380 . 4.380 3.391 2.691 4.259 . 0 0 "[ . 1 . 2]" 1 261 1 27 PHE QD 1 44 VAL QG 4.850 . 4.850 3.109 2.612 3.401 . 0 0 "[ . 1 . 2]" 1 262 1 27 PHE QE 1 36 ILE MG 4.870 . 4.870 3.661 2.634 4.614 . 0 0 "[ . 1 . 2]" 1 263 1 27 PHE QE 1 41 LEU HA 4.500 . 4.500 2.193 1.804 3.885 . 0 0 "[ . 1 . 2]" 1 264 1 27 PHE QE 1 44 VAL HB . . 4.240 3.132 2.252 4.288 0.048 10 0 "[ . 1 . 2]" 1 265 1 27 PHE QE 1 44 VAL QG 3.700 . 3.700 2.356 1.842 2.876 . 0 0 "[ . 1 . 2]" 1 266 1 27 PHE HZ 1 36 ILE MG 5.530 . 5.530 4.843 3.946 5.564 0.034 9 0 "[ . 1 . 2]" 1 267 1 28 VAL H 1 28 VAL HB 4.100 . 4.100 3.584 2.986 3.783 . 0 0 "[ . 1 . 2]" 1 268 1 28 VAL H 1 28 VAL QG 2.900 . 2.900 1.871 1.779 2.018 0.021 19 0 "[ . 1 . 2]" 1 269 1 28 VAL H 1 29 LEU H 4.770 . 4.770 2.799 2.093 4.026 . 0 0 "[ . 1 . 2]" 1 270 1 28 VAL HA 1 28 VAL HB . . 3.080 2.478 2.390 2.688 . 0 0 "[ . 1 . 2]" 1 271 1 28 VAL HA 1 28 VAL QG . . 3.330 2.289 2.143 2.407 . 0 0 "[ . 1 . 2]" 1 272 1 28 VAL HA 1 29 LEU H 5.800 . 5.800 3.150 2.289 3.598 . 0 0 "[ . 1 . 2]" 1 273 1 28 VAL HA 1 31 ALA MB 3.400 . 3.400 2.439 1.810 3.204 . 0 0 "[ . 1 . 2]" 1 274 1 28 VAL HB 1 31 ALA MB 3.150 . 3.150 2.658 1.884 3.229 0.079 2 0 "[ . 1 . 2]" 1 275 1 28 VAL HB 1 34 GLY H 6.000 . 6.000 4.605 2.059 6.035 0.035 4 0 "[ . 1 . 2]" 1 276 1 28 VAL HB 1 35 CYS H 6.000 . 6.000 4.208 2.441 5.411 . 0 0 "[ . 1 . 2]" 1 277 1 28 VAL QG 1 31 ALA MB 3.920 . 3.920 2.838 1.767 3.593 0.033 1 0 "[ . 1 . 2]" 1 278 1 28 VAL QG 1 35 CYS HA 4.680 . 4.680 2.887 1.984 4.045 . 0 0 "[ . 1 . 2]" 1 279 1 28 VAL QG 1 36 ILE MD 3.400 . 3.400 2.690 1.921 3.159 . 0 0 "[ . 1 . 2]" 1 280 1 28 VAL QG 1 36 ILE QG 4.050 . 4.050 1.921 1.761 3.064 0.039 18 0 "[ . 1 . 2]" 1 281 1 29 LEU H 1 29 LEU QB 3.430 . 3.430 2.280 1.953 3.196 . 0 0 "[ . 1 . 2]" 1 282 1 29 LEU H 1 29 LEU HG . . 3.840 3.137 2.100 3.960 0.120 9 0 "[ . 1 . 2]" 1 283 1 29 LEU H 1 31 ALA H 6.000 . 6.000 4.348 3.713 5.139 . 0 0 "[ . 1 . 2]" 1 284 1 29 LEU HA 1 29 LEU QD . . 3.290 2.558 2.051 3.319 0.029 10 0 "[ . 1 . 2]" 1 285 1 29 LEU HA 1 30 GLY H . . 3.740 3.109 2.201 3.599 . 0 0 "[ . 1 . 2]" 1 286 1 29 LEU HG 1 31 ALA H 6.000 . 6.000 5.790 4.429 6.066 0.066 7 0 "[ . 1 . 2]" 1 287 1 30 GLY H 1 31 ALA H 5.560 . 5.560 2.814 2.118 3.407 . 0 0 "[ . 1 . 2]" 1 288 1 30 GLY HA2 1 31 ALA H 4.690 . 4.690 3.083 2.664 3.591 . 0 0 "[ . 1 . 2]" 1 289 1 30 GLY HA3 1 31 ALA H 5.280 . 5.280 3.338 2.577 3.591 . 0 0 "[ . 1 . 2]" 1 290 1 31 ALA H 1 31 ALA MB 2.980 . 2.980 2.315 2.137 2.798 . 0 0 "[ . 1 . 2]" 1 291 1 31 ALA H 1 32 GLU QG 6.000 . 6.000 5.577 4.718 6.043 0.043 1 0 "[ . 1 . 2]" 1 292 1 31 ALA H 1 34 GLY H 6.000 . 6.000 5.326 3.651 6.044 0.044 13 0 "[ . 1 . 2]" 1 293 1 31 ALA HA 1 32 GLU H 6.000 . 6.000 2.666 2.202 3.583 . 0 0 "[ . 1 . 2]" 1 294 1 31 ALA MB 1 35 CYS H 3.640 . 3.640 3.423 2.231 3.710 0.070 16 0 "[ . 1 . 2]" 1 295 1 31 ALA MB 1 40 GLU QB 3.910 . 3.910 3.505 2.009 3.984 0.074 20 0 "[ . 1 . 2]" 1 296 1 31 ALA MB 1 40 GLU QG 3.870 . 3.870 2.488 1.764 3.759 0.036 1 0 "[ . 1 . 2]" 1 297 1 32 GLU H 1 33 ASP HA 5.880 . 5.880 5.313 4.108 5.974 0.094 18 0 "[ . 1 . 2]" 1 298 1 32 GLU HA 1 32 GLU HG3 3.580 . 3.580 2.719 2.180 3.555 . 0 0 "[ . 1 . 2]" 1 299 1 32 GLU HA 1 33 ASP H 4.220 . 4.220 3.304 2.338 3.598 . 0 0 "[ . 1 . 2]" 1 300 1 32 GLU QB 1 33 ASP H 5.040 . 5.040 2.832 1.873 3.993 . 0 0 "[ . 1 . 2]" 1 301 1 32 GLU QG 1 33 ASP H 6.000 . 6.000 3.994 1.928 4.831 . 0 0 "[ . 1 . 2]" 1 302 1 33 ASP H 1 34 GLY H 4.460 . 4.460 2.724 1.996 4.083 . 0 0 "[ . 1 . 2]" 1 303 1 33 ASP H 1 35 CYS H 6.000 . 6.000 4.210 3.071 5.112 . 0 0 "[ . 1 . 2]" 1 304 1 33 ASP HA 1 34 GLY H 4.490 . 4.490 3.298 2.401 3.592 . 0 0 "[ . 1 . 2]" 1 305 1 33 ASP HA 1 35 CYS H 5.300 . 5.300 4.675 3.653 5.336 0.036 18 0 "[ . 1 . 2]" 1 306 1 33 ASP QB 1 34 GLY H 6.000 . 6.000 3.267 2.440 3.973 . 0 0 "[ . 1 . 2]" 1 307 1 34 GLY HA3 1 35 CYS H 4.610 . 4.610 3.290 2.825 3.595 . 0 0 "[ . 1 . 2]" 1 308 1 35 CYS H 1 36 ILE H 6.000 . 6.000 4.478 4.302 4.754 . 0 0 "[ . 1 . 2]" 1 309 1 35 CYS HA 1 36 ILE H 4.640 . 4.640 2.555 2.222 3.484 . 0 0 "[ . 1 . 2]" 1 310 1 35 CYS QB 1 36 ILE H 4.100 . 4.100 2.564 1.816 3.779 . 0 0 "[ . 1 . 2]" 1 311 1 35 CYS QB 1 71 THR HB . . 3.810 3.170 1.835 3.846 0.036 15 0 "[ . 1 . 2]" 1 312 1 35 CYS QB 1 71 THR MG 4.710 . 4.710 2.407 1.782 4.116 0.018 16 0 "[ . 1 . 2]" 1 313 1 35 CYS QB 1 72 VAL H 5.960 . 5.960 4.238 3.532 5.270 . 0 0 "[ . 1 . 2]" 1 314 1 36 ILE H 1 36 ILE HB 4.140 . 4.140 2.307 2.104 2.639 . 0 0 "[ . 1 . 2]" 1 315 1 36 ILE H 1 36 ILE MD 4.600 . 4.600 3.365 2.063 3.899 . 0 0 "[ . 1 . 2]" 1 316 1 36 ILE H 1 36 ILE QG 4.220 . 4.220 2.628 2.104 3.136 . 0 0 "[ . 1 . 2]" 1 317 1 36 ILE H 1 72 VAL H 5.840 . 5.840 3.937 3.008 4.573 . 0 0 "[ . 1 . 2]" 1 318 1 36 ILE H 1 72 VAL HB 5.720 . 5.720 3.790 2.506 4.636 . 0 0 "[ . 1 . 2]" 1 319 1 36 ILE HA 1 37 SER H 3.670 . 3.670 2.222 2.186 2.320 . 0 0 "[ . 1 . 2]" 1 320 1 36 ILE HA 1 40 GLU QB 4.250 . 4.250 2.958 2.077 3.763 . 0 0 "[ . 1 . 2]" 1 321 1 36 ILE HB 1 37 SER H 6.000 . 6.000 4.454 4.210 4.629 . 0 0 "[ . 1 . 2]" 1 322 1 36 ILE HB 1 72 VAL H 4.620 . 4.620 3.794 3.025 4.503 . 0 0 "[ . 1 . 2]" 1 323 1 36 ILE HB 1 72 VAL HB 3.600 . 3.600 2.539 1.770 3.452 0.030 2 0 "[ . 1 . 2]" 1 324 1 36 ILE HB 1 72 VAL QG 3.620 . 3.620 2.366 1.957 3.223 . 0 0 "[ . 1 . 2]" 1 325 1 36 ILE MD 1 72 VAL HB . . 4.440 3.777 3.090 4.459 0.019 15 0 "[ . 1 . 2]" 1 326 1 36 ILE MD 1 72 VAL QG 3.530 . 3.530 2.364 1.913 2.958 . 0 0 "[ . 1 . 2]" 1 327 1 36 ILE MD 1 77 PHE QB 4.430 . 4.430 2.992 2.196 3.879 . 0 0 "[ . 1 . 2]" 1 328 1 36 ILE MD 1 77 PHE QD 3.800 . 3.800 2.627 1.821 3.263 . 0 0 "[ . 1 . 2]" 1 329 1 36 ILE QG 1 37 SER H 4.170 . 4.170 2.916 2.451 3.297 . 0 0 "[ . 1 . 2]" 1 330 1 36 ILE QG 1 40 GLU QB 3.130 . 3.130 2.706 1.844 3.299 0.169 6 0 "[ . 1 . 2]" 1 331 1 36 ILE QG 1 41 LEU H 4.080 . 4.080 3.421 2.541 4.082 0.002 12 0 "[ . 1 . 2]" 1 332 1 36 ILE QG 1 41 LEU HA 3.990 . 3.990 3.532 2.809 4.056 0.066 6 0 "[ . 1 . 2]" 1 333 1 36 ILE QG 1 72 VAL QG 3.200 . 3.200 2.678 2.098 3.157 . 0 0 "[ . 1 . 2]" 1 334 1 36 ILE MG 1 72 VAL QG 3.440 . 3.440 2.777 2.106 3.252 . 0 0 "[ . 1 . 2]" 1 335 1 37 SER H 1 40 GLU H . . 5.770 3.404 3.087 3.946 . 0 0 "[ . 1 . 2]" 1 336 1 37 SER H 1 40 GLU QB 5.480 . 5.480 2.264 1.873 4.133 . 0 0 "[ . 1 . 2]" 1 337 1 37 SER HA 1 38 THR H 5.570 . 5.570 2.609 2.400 2.780 . 0 0 "[ . 1 . 2]" 1 338 1 37 SER QB 1 38 THR H 5.550 . 5.550 2.824 2.217 3.994 . 0 0 "[ . 1 . 2]" 1 339 1 37 SER QB 1 39 LYS H 4.610 . 4.610 3.087 2.368 3.617 . 0 0 "[ . 1 . 2]" 1 340 1 37 SER QB 1 71 THR MG 3.840 . 3.840 2.881 1.979 4.579 0.739 12 1 "[ . 1 + . 2]" 1 341 1 38 THR H 1 38 THR MG 3.770 . 3.770 2.322 2.030 2.636 . 0 0 "[ . 1 . 2]" 1 342 1 38 THR H 1 39 LYS H 5.920 . 5.920 2.782 2.669 3.517 . 0 0 "[ . 1 . 2]" 1 343 1 38 THR HA 1 40 GLU H 5.500 . 5.500 4.495 4.102 5.016 . 0 0 "[ . 1 . 2]" 1 344 1 38 THR HA 1 41 LEU H 4.320 . 4.320 3.498 3.033 3.813 . 0 0 "[ . 1 . 2]" 1 345 1 38 THR HA 1 41 LEU QB 3.490 . 3.490 2.560 1.909 3.050 . 0 0 "[ . 1 . 2]" 1 346 1 38 THR HA 1 61 ILE MD 3.530 . 3.530 3.371 2.863 3.616 0.086 11 0 "[ . 1 . 2]" 1 347 1 38 THR HB 1 57 LEU QB 4.500 . 4.500 2.651 1.975 3.269 . 0 0 "[ . 1 . 2]" 1 348 1 38 THR HB 1 57 LEU QD 3.540 . 3.540 3.325 2.788 3.585 0.045 18 0 "[ . 1 . 2]" 1 349 1 38 THR MG 1 58 GLN H 4.130 . 4.130 2.654 2.185 3.043 . 0 0 "[ . 1 . 2]" 1 350 1 38 THR MG 1 58 GLN HA 3.020 . 3.020 2.098 1.770 2.615 0.030 20 0 "[ . 1 . 2]" 1 351 1 38 THR MG 1 58 GLN QB 4.110 . 4.110 2.670 2.032 3.338 . 0 0 "[ . 1 . 2]" 1 352 1 39 LYS H 1 40 GLU H . . 4.520 2.752 2.646 3.266 . 0 0 "[ . 1 . 2]" 1 353 1 39 LYS H 1 41 LEU QB 5.680 . 5.680 4.776 4.286 5.065 . 0 0 "[ . 1 . 2]" 1 354 1 39 LYS HA 1 39 LYS QG 3.550 . 3.550 2.336 2.017 3.320 . 0 0 "[ . 1 . 2]" 1 355 1 39 LYS QB 1 40 GLU H . . 4.200 2.557 2.000 3.392 . 0 0 "[ . 1 . 2]" 1 356 1 40 GLU H 1 40 GLU QB 3.680 . 3.680 2.184 1.997 2.392 . 0 0 "[ . 1 . 2]" 1 357 1 40 GLU H 1 41 LEU H 4.600 . 4.600 2.615 2.358 2.788 . 0 0 "[ . 1 . 2]" 1 358 1 40 GLU H 1 41 LEU QB 5.220 . 5.220 4.242 3.954 4.446 . 0 0 "[ . 1 . 2]" 1 359 1 40 GLU H 1 43 LYS H 6.000 . 6.000 4.953 4.774 5.348 . 0 0 "[ . 1 . 2]" 1 360 1 40 GLU HA 1 41 LEU H 4.560 . 4.560 3.556 3.516 3.592 . 0 0 "[ . 1 . 2]" 1 361 1 40 GLU QB 1 41 LEU H 3.990 . 3.990 2.688 2.311 3.432 . 0 0 "[ . 1 . 2]" 1 362 1 41 LEU H 1 42 GLY H 5.260 . 5.260 2.792 2.472 2.997 . 0 0 "[ . 1 . 2]" 1 363 1 41 LEU HA 1 41 LEU QD 3.020 . 3.020 2.012 1.818 2.296 . 0 0 "[ . 1 . 2]" 1 364 1 41 LEU HA 1 41 LEU HG 4.370 . 4.370 3.521 3.383 3.678 . 0 0 "[ . 1 . 2]" 1 365 1 41 LEU QB 1 42 GLY H 4.760 . 4.760 2.263 1.916 2.674 . 0 0 "[ . 1 . 2]" 1 366 1 41 LEU QB 1 57 LEU H 6.000 . 6.000 5.973 5.612 6.104 0.104 20 0 "[ . 1 . 2]" 1 367 1 41 LEU QD 1 42 GLY HA2 3.470 . 3.470 3.261 2.294 3.641 0.171 7 0 "[ . 1 . 2]" 1 368 1 41 LEU QD 1 45 MET ME 2.650 . 2.650 2.124 1.786 2.702 0.052 6 0 "[ . 1 . 2]" 1 369 1 41 LEU QD 1 45 MET HG3 3.320 . 3.320 2.306 1.774 3.417 0.097 9 0 "[ . 1 . 2]" 1 370 1 41 LEU QD 2 5 ILE MG 4.000 . 4.000 3.994 3.667 4.182 0.182 18 0 "[ . 1 . 2]" 1 371 1 41 LEU QD 2 10 MET ME 4.000 . 4.000 2.578 1.865 3.247 . 0 0 "[ . 1 . 2]" 1 372 1 41 LEU HG 1 42 GLY H 3.960 . 3.960 3.504 2.888 4.151 0.191 11 0 "[ . 1 . 2]" 1 373 1 42 GLY H 1 43 LYS H 4.500 . 4.500 2.859 2.720 2.997 . 0 0 "[ . 1 . 2]" 1 374 1 42 GLY HA2 1 43 LYS H 4.140 . 4.140 3.556 3.526 3.580 . 0 0 "[ . 1 . 2]" 1 375 1 42 GLY HA3 1 43 LYS H . . 3.810 2.934 2.838 3.021 . 0 0 "[ . 1 . 2]" 1 376 1 42 GLY HA3 1 45 MET H 5.480 . 5.480 4.425 4.286 4.608 . 0 0 "[ . 1 . 2]" 1 377 1 43 LYS H 1 43 LYS QB 3.000 . 3.000 2.054 1.944 2.170 . 0 0 "[ . 1 . 2]" 1 378 1 43 LYS H 1 43 LYS QG 4.710 . 4.710 3.506 2.550 3.936 . 0 0 "[ . 1 . 2]" 1 379 1 43 LYS H 1 44 VAL H . . 4.510 2.847 2.707 3.000 . 0 0 "[ . 1 . 2]" 1 380 1 43 LYS HA 1 43 LYS HG3 3.630 . 3.630 2.672 1.971 3.576 . 0 0 "[ . 1 . 2]" 1 381 1 43 LYS HA 1 44 VAL H 4.770 . 4.770 3.578 3.540 3.601 . 0 0 "[ . 1 . 2]" 1 382 1 43 LYS HA 1 46 ARG H 4.910 . 4.910 4.064 3.637 4.528 . 0 0 "[ . 1 . 2]" 1 383 1 43 LYS QB 1 43 LYS HE3 4.460 . 4.460 3.424 2.138 4.391 . 0 0 "[ . 1 . 2]" 1 384 1 43 LYS QB 1 44 VAL H 3.410 . 3.410 2.571 2.301 3.464 0.054 2 0 "[ . 1 . 2]" 1 385 1 43 LYS QB 1 44 VAL QG 3.930 . 3.930 2.958 2.631 3.860 . 0 0 "[ . 1 . 2]" 1 386 1 44 VAL H 1 44 VAL HB 3.740 . 3.740 2.519 2.139 3.595 . 0 0 "[ . 1 . 2]" 1 387 1 44 VAL H 1 44 VAL QG . . 3.120 2.233 1.812 2.613 . 0 0 "[ . 1 . 2]" 1 388 1 44 VAL H 1 45 MET H 4.490 . 4.490 2.451 2.265 2.654 . 0 0 "[ . 1 . 2]" 1 389 1 44 VAL HA 1 44 VAL QG 3.190 . 3.190 2.089 2.002 2.315 . 0 0 "[ . 1 . 2]" 1 390 1 44 VAL HA 1 47 MET H 5.100 . 5.100 3.564 3.268 4.200 . 0 0 "[ . 1 . 2]" 1 391 1 44 VAL HB 1 45 MET H 4.380 . 4.380 2.920 2.523 4.019 . 0 0 "[ . 1 . 2]" 1 392 1 44 VAL QG 2 10 MET ME 4.000 . 4.000 2.556 2.001 3.423 . 0 0 "[ . 1 . 2]" 1 393 1 44 VAL QG 2 13 ALA MB 4.000 . 4.000 3.437 2.374 4.081 0.081 16 0 "[ . 1 . 2]" 1 394 1 44 VAL QG 2 14 LEU QD 4.000 . 4.000 2.142 1.803 3.161 . 0 0 "[ . 1 . 2]" 1 395 1 45 MET H 1 45 MET QB 3.750 . 3.750 2.174 1.943 2.316 . 0 0 "[ . 1 . 2]" 1 396 1 45 MET H 1 45 MET QG 4.210 . 4.210 2.563 2.206 3.413 . 0 0 "[ . 1 . 2]" 1 397 1 45 MET H 1 45 MET HG3 3.510 . 3.510 3.146 2.469 3.719 0.209 9 0 "[ . 1 . 2]" 1 398 1 45 MET H 1 46 ARG H . . 4.860 2.783 2.663 2.930 . 0 0 "[ . 1 . 2]" 1 399 1 45 MET HA 1 45 MET ME 3.650 . 3.650 3.577 3.172 3.782 0.132 6 0 "[ . 1 . 2]" 1 400 1 45 MET HA 1 45 MET HG3 3.710 . 3.710 3.358 2.011 3.691 . 0 0 "[ . 1 . 2]" 1 401 1 45 MET ME 1 45 MET QG 2.970 . 2.970 2.055 1.890 2.168 . 0 0 "[ . 1 . 2]" 1 402 1 45 MET ME 2 5 ILE MD 4.000 . 4.000 2.123 1.788 2.905 0.012 6 0 "[ . 1 . 2]" 1 403 1 45 MET ME 2 5 ILE MG 4.000 . 4.000 3.141 2.075 3.994 . 0 0 "[ . 1 . 2]" 1 404 1 45 MET ME 2 10 MET ME 4.000 . 4.000 2.550 1.817 3.542 . 0 0 "[ . 1 . 2]" 1 405 1 45 MET QG 1 46 ARG H 5.470 . 5.470 4.241 4.026 4.618 . 0 0 "[ . 1 . 2]" 1 406 1 46 ARG H 1 46 ARG QB . . 3.510 2.140 1.958 2.429 . 0 0 "[ . 1 . 2]" 1 407 1 46 ARG H 1 46 ARG QD 4.640 . 4.640 4.096 2.738 4.622 . 0 0 "[ . 1 . 2]" 1 408 1 46 ARG H 1 46 ARG QG 4.110 . 4.110 3.299 1.944 4.020 . 0 0 "[ . 1 . 2]" 1 409 1 47 MET H 1 47 MET QB 3.660 . 3.660 2.202 1.984 2.438 . 0 0 "[ . 1 . 2]" 1 410 1 47 MET H 1 47 MET QG 4.100 . 4.100 3.277 1.963 3.969 . 0 0 "[ . 1 . 2]" 1 411 1 47 MET H 1 48 LEU H 4.140 . 4.140 2.602 2.310 2.780 . 0 0 "[ . 1 . 2]" 1 412 1 47 MET HA 1 48 LEU H 4.420 . 4.420 3.511 3.308 3.582 . 0 0 "[ . 1 . 2]" 1 413 1 47 MET QB 1 48 LEU H 4.800 . 4.800 2.908 2.433 3.913 . 0 0 "[ . 1 . 2]" 1 414 1 47 MET ME 1 47 MET QG . . 2.790 2.133 1.972 2.330 . 0 0 "[ . 1 . 2]" 1 415 1 47 MET ME 2 13 ALA MB 4.000 . 4.000 2.813 1.825 3.902 . 0 0 "[ . 1 . 2]" 1 416 1 47 MET ME 2 14 LEU QD 4.000 . 4.000 3.654 2.448 4.013 0.013 7 0 "[ . 1 . 2]" 1 417 1 47 MET ME 2 17 ALA MB 4.000 . 4.000 3.108 1.909 3.982 . 0 0 "[ . 1 . 2]" 1 418 1 48 LEU H 1 48 LEU QB 3.800 . 3.800 2.285 2.035 2.614 . 0 0 "[ . 1 . 2]" 1 419 1 48 LEU H 1 48 LEU QD 3.870 . 3.870 3.646 3.070 3.948 0.078 16 0 "[ . 1 . 2]" 1 420 1 48 LEU H 1 48 LEU HG 4.250 . 4.250 3.992 2.377 4.434 0.184 11 0 "[ . 1 . 2]" 1 421 1 48 LEU H 1 49 GLY H 3.730 . 3.730 2.711 2.125 3.821 0.091 16 0 "[ . 1 . 2]" 1 422 1 48 LEU H 1 50 GLN H 5.420 . 5.420 4.747 2.870 5.472 0.052 7 0 "[ . 1 . 2]" 1 423 1 48 LEU HA 1 48 LEU QD 2.890 . 2.890 2.409 1.866 2.934 0.044 8 0 "[ . 1 . 2]" 1 424 1 48 LEU HA 1 48 LEU HG 4.040 . 4.040 2.536 2.022 3.005 . 0 0 "[ . 1 . 2]" 1 425 1 48 LEU QD 2 5 ILE MD 4.000 . 4.000 3.328 2.082 4.019 0.019 13 0 "[ . 1 . 2]" 1 426 1 48 LEU QD 2 9 ALA MB 4.000 . 4.000 2.791 1.820 3.913 . 0 0 "[ . 1 . 2]" 1 427 1 48 LEU QD 2 13 ALA MB 4.000 . 4.000 2.519 1.931 3.739 . 0 0 "[ . 1 . 2]" 1 428 1 48 LEU HG 1 49 GLY H 4.510 . 4.510 4.029 2.992 4.569 0.059 1 0 "[ . 1 . 2]" 1 429 1 49 GLY H 1 49 GLY HA3 3.100 . 3.100 2.814 2.407 2.998 . 0 0 "[ . 1 . 2]" 1 430 1 49 GLY H 1 50 GLN H 4.430 . 4.430 2.963 1.898 4.224 . 0 0 "[ . 1 . 2]" 1 431 1 49 GLY H 1 50 GLN QB 5.930 . 5.930 4.822 3.638 5.973 0.043 4 0 "[ . 1 . 2]" 1 432 1 49 GLY H 1 50 GLN QG 5.500 . 5.500 4.832 3.760 5.573 0.073 4 0 "[ . 1 . 2]" 1 433 1 49 GLY HA2 1 50 GLN H 4.000 . 4.000 3.165 2.177 3.598 . 0 0 "[ . 1 . 2]" 1 434 1 49 GLY HA3 1 50 GLN H 4.090 . 4.090 2.925 2.184 3.586 . 0 0 "[ . 1 . 2]" 1 435 1 50 GLN H 1 50 GLN QB . . 3.420 2.645 2.068 3.364 . 0 0 "[ . 1 . 2]" 1 436 1 50 GLN H 1 50 GLN QG 3.870 . 3.870 2.806 1.785 3.474 0.015 8 0 "[ . 1 . 2]" 1 437 1 50 GLN H 1 50 GLN HG3 3.530 . 3.530 2.958 1.801 3.584 0.054 7 0 "[ . 1 . 2]" 1 438 1 50 GLN HA 1 50 GLN HG3 3.440 . 3.440 2.924 1.984 3.541 0.101 10 0 "[ . 1 . 2]" 1 439 1 50 GLN QB 1 50 GLN HG3 2.760 . 2.760 2.411 2.169 2.548 . 0 0 "[ . 1 . 2]" 1 440 1 50 GLN QB 1 52 PRO QD 3.940 . 3.940 3.532 2.149 4.022 0.082 6 0 "[ . 1 . 2]" 1 441 1 51 ASN HA 1 52 PRO QD . . 2.850 2.010 1.835 2.338 . 0 0 "[ . 1 . 2]" 1 442 1 52 PRO QD 1 53 THR H 5.210 . 5.210 3.343 2.352 4.984 . 0 0 "[ . 1 . 2]" 1 443 1 52 PRO QD 1 57 LEU QD . . 3.400 3.340 3.067 3.497 0.097 7 0 "[ . 1 . 2]" 1 444 1 53 THR H 1 53 THR HB 3.510 . 3.510 3.521 3.153 3.655 0.145 15 0 "[ . 1 . 2]" 1 445 1 53 THR H 1 56 GLU QB 3.800 . 3.800 2.902 2.460 3.777 . 0 0 "[ . 1 . 2]" 1 446 1 53 THR HB 1 54 PRO QD 2.970 . 2.970 2.461 1.762 3.066 0.096 20 0 "[ . 1 . 2]" 1 447 1 53 THR MG 1 54 PRO QD 3.090 . 3.090 2.833 1.872 3.749 0.659 18 4 "[ *- 1 . + *]" 1 448 1 54 PRO HA 1 54 PRO HG3 4.250 . 4.250 4.013 4.004 4.022 . 0 0 "[ . 1 . 2]" 1 449 1 54 PRO HA 1 57 LEU H 5.290 . 5.290 3.621 3.344 4.014 . 0 0 "[ . 1 . 2]" 1 450 1 54 PRO HA 1 57 LEU QD 3.200 . 3.200 2.375 1.918 3.234 0.034 16 0 "[ . 1 . 2]" 1 451 1 54 PRO QB 1 55 GLU H . . 3.990 3.139 2.897 3.368 . 0 0 "[ . 1 . 2]" 1 452 1 54 PRO QD 1 55 GLU H 3.710 . 3.710 2.662 2.481 2.783 . 0 0 "[ . 1 . 2]" 1 453 1 54 PRO QG 1 55 GLU H . . 3.420 2.312 2.045 2.587 . 0 0 "[ . 1 . 2]" 1 454 1 55 GLU H 1 55 GLU QB 3.860 . 3.860 2.199 1.941 2.453 . 0 0 "[ . 1 . 2]" 1 455 1 55 GLU H 1 56 GLU H . . 4.070 2.679 2.580 2.801 . 0 0 "[ . 1 . 2]" 1 456 1 55 GLU HA 1 55 GLU HG2 3.420 . 3.420 3.181 2.278 3.515 0.095 9 0 "[ . 1 . 2]" 1 457 1 55 GLU HA 1 56 GLU H 4.060 . 4.060 3.541 3.491 3.570 . 0 0 "[ . 1 . 2]" 1 458 1 55 GLU HA 1 58 GLN H 3.870 . 3.870 3.322 3.028 3.790 . 0 0 "[ . 1 . 2]" 1 459 1 55 GLU QB 1 56 GLU H 3.980 . 3.980 2.776 2.494 3.606 . 0 0 "[ . 1 . 2]" 1 460 1 56 GLU H 1 56 GLU QB . . 3.460 2.126 1.943 2.200 . 0 0 "[ . 1 . 2]" 1 461 1 56 GLU H 1 57 LEU H 4.540 . 4.540 2.743 2.579 2.916 . 0 0 "[ . 1 . 2]" 1 462 1 56 GLU QB 1 57 LEU H 5.390 . 5.390 2.605 2.410 2.933 . 0 0 "[ . 1 . 2]" 1 463 1 56 GLU QB 1 57 LEU QD 4.460 . 4.460 2.759 1.927 3.787 . 0 0 "[ . 1 . 2]" 1 464 1 57 LEU H 1 57 LEU QD 4.350 . 4.350 2.433 1.844 3.007 . 0 0 "[ . 1 . 2]" 1 465 1 57 LEU H 1 57 LEU HG 3.840 . 3.840 2.844 1.814 3.881 0.041 5 0 "[ . 1 . 2]" 1 466 1 57 LEU H 1 58 GLN HA 6.000 . 6.000 5.111 4.902 5.314 . 0 0 "[ . 1 . 2]" 1 467 1 57 LEU HA 1 57 LEU QD . . 2.880 2.128 1.824 2.873 . 0 0 "[ . 1 . 2]" 1 468 1 57 LEU HA 1 57 LEU HG 3.840 . 3.840 3.115 2.423 3.637 . 0 0 "[ . 1 . 2]" 1 469 1 57 LEU HA 1 58 GLN H 4.360 . 4.360 3.497 3.436 3.553 . 0 0 "[ . 1 . 2]" 1 470 1 57 LEU HA 1 60 MET H 3.900 . 3.900 3.144 2.922 3.393 . 0 0 "[ . 1 . 2]" 1 471 1 57 LEU HA 1 60 MET QB 3.920 . 3.920 2.386 1.832 3.232 . 0 0 "[ . 1 . 2]" 1 472 1 57 LEU HA 1 60 MET ME 3.340 . 3.340 2.806 2.052 3.348 0.008 4 0 "[ . 1 . 2]" 1 473 1 57 LEU QB 1 58 GLN H 4.440 . 4.440 2.972 2.705 3.185 . 0 0 "[ . 1 . 2]" 1 474 1 57 LEU QB 1 59 GLU H 6.000 . 6.000 4.929 4.672 5.208 . 0 0 "[ . 1 . 2]" 1 475 1 57 LEU QB 1 60 MET QB 3.230 . 3.230 3.314 3.180 3.413 0.183 1 0 "[ . 1 . 2]" 1 476 1 57 LEU QD 1 60 MET QB 4.540 . 4.540 3.147 2.626 3.859 . 0 0 "[ . 1 . 2]" 1 477 1 57 LEU QD 1 60 MET ME 2.580 . 2.580 1.976 1.812 2.468 . 0 0 "[ . 1 . 2]" 1 478 1 57 LEU QD 2 3 VAL QG 4.000 . 4.000 3.511 2.242 4.098 0.098 6 0 "[ . 1 . 2]" 1 479 1 57 LEU HG 1 58 GLN H 5.470 . 5.470 4.756 3.835 5.524 0.054 18 0 "[ . 1 . 2]" 1 480 1 58 GLN H 1 58 GLN QB 3.020 . 3.020 1.987 1.930 2.162 . 0 0 "[ . 1 . 2]" 1 481 1 58 GLN H 1 58 GLN HG2 3.700 . 3.700 3.493 2.564 3.774 0.074 3 0 "[ . 1 . 2]" 1 482 1 58 GLN H 1 58 GLN QG 3.410 . 3.410 3.180 2.508 3.473 0.063 13 0 "[ . 1 . 2]" 1 483 1 58 GLN HA 1 59 GLU H 5.930 . 5.930 3.575 3.525 3.604 . 0 0 "[ . 1 . 2]" 1 484 1 58 GLN HA 1 61 ILE HB . . 3.350 3.185 2.942 3.395 0.045 18 0 "[ . 1 . 2]" 1 485 1 58 GLN HA 1 61 ILE MD 3.780 . 3.780 3.684 2.856 3.916 0.136 18 0 "[ . 1 . 2]" 1 486 1 58 GLN QB 1 59 GLU H 3.430 . 3.430 2.839 2.350 3.430 . 0 0 "[ . 1 . 2]" 1 487 1 58 GLN QE 1 61 ILE QG 4.310 . 4.310 3.667 2.065 4.328 0.018 9 0 "[ . 1 . 2]" 1 488 1 58 GLN QG 1 59 GLU H 4.430 . 4.430 3.335 2.132 4.476 0.046 11 0 "[ . 1 . 2]" 1 489 1 59 GLU HA 1 59 GLU QB . . 2.780 2.431 2.197 2.557 . 0 0 "[ . 1 . 2]" 1 490 1 59 GLU HA 1 59 GLU QG 3.290 . 3.290 2.478 2.038 3.331 0.041 11 0 "[ . 1 . 2]" 1 491 1 59 GLU HA 1 60 MET H 3.730 . 3.730 3.547 3.516 3.581 . 0 0 "[ . 1 . 2]" 1 492 1 59 GLU HA 1 62 ASP QB . . 3.060 2.522 2.086 3.118 0.058 9 0 "[ . 1 . 2]" 1 493 1 60 MET H 1 60 MET QG 4.070 . 4.070 3.185 2.256 3.977 . 0 0 "[ . 1 . 2]" 1 494 1 60 MET HA 1 60 MET QG . . 3.720 2.211 1.943 2.412 . 0 0 "[ . 1 . 2]" 1 495 1 60 MET HA 1 61 ILE H 3.820 . 3.820 3.574 3.486 3.609 . 0 0 "[ . 1 . 2]" 1 496 1 60 MET QB 1 60 MET ME 2.820 . 2.820 2.451 1.990 2.859 0.039 5 0 "[ . 1 . 2]" 1 497 1 60 MET QB 1 61 ILE H 4.900 . 4.900 2.586 2.412 2.988 . 0 0 "[ . 1 . 2]" 1 498 1 60 MET ME 1 60 MET QG . . 2.980 2.142 1.997 2.412 . 0 0 "[ . 1 . 2]" 1 499 1 60 MET ME 2 3 VAL QG 4.000 . 4.000 2.481 1.825 3.863 . 0 0 "[ . 1 . 2]" 1 500 1 60 MET ME 2 5 ILE MD 4.000 . 4.000 3.764 2.818 4.064 0.064 9 0 "[ . 1 . 2]" 1 501 1 61 ILE H 1 61 ILE HB 3.560 . 3.560 2.212 2.044 2.477 . 0 0 "[ . 1 . 2]" 1 502 1 61 ILE H 1 61 ILE MD 4.660 . 4.660 3.850 2.962 4.223 . 0 0 "[ . 1 . 2]" 1 503 1 61 ILE H 1 61 ILE QG 4.060 . 4.060 2.472 2.072 2.786 . 0 0 "[ . 1 . 2]" 1 504 1 61 ILE H 1 62 ASP H 4.450 . 4.450 2.595 2.369 2.772 . 0 0 "[ . 1 . 2]" 1 505 1 61 ILE HA 1 61 ILE MD 3.820 . 3.820 3.546 2.096 3.815 . 0 0 "[ . 1 . 2]" 1 506 1 61 ILE HA 1 61 ILE QG 3.430 . 3.430 2.093 1.955 2.198 . 0 0 "[ . 1 . 2]" 1 507 1 61 ILE HA 1 62 ASP H 6.000 . 6.000 3.567 3.519 3.591 . 0 0 "[ . 1 . 2]" 1 508 1 61 ILE HA 1 64 VAL QG 4.000 . 4.000 3.070 2.292 4.003 0.003 12 0 "[ . 1 . 2]" 1 509 1 61 ILE HA 1 72 VAL QG . . 3.630 2.737 1.799 3.268 0.001 11 0 "[ . 1 . 2]" 1 510 1 61 ILE HB 1 61 ILE MD . . 3.340 2.264 1.904 3.214 . 0 0 "[ . 1 . 2]" 1 511 1 61 ILE HB 1 62 ASP H 3.950 . 3.950 3.220 2.038 3.816 . 0 0 "[ . 1 . 2]" 1 512 1 61 ILE HB 1 72 VAL H 5.400 . 5.400 5.254 4.917 5.434 0.034 20 0 "[ . 1 . 2]" 1 513 1 61 ILE MD 1 72 VAL HA 4.140 . 4.140 4.182 3.904 4.258 0.118 9 0 "[ . 1 . 2]" 1 514 1 61 ILE MD 1 72 VAL HB 3.890 . 3.890 2.803 1.797 3.607 0.003 15 0 "[ . 1 . 2]" 1 515 1 61 ILE MD 1 72 VAL QG 3.360 . 3.360 2.367 1.782 2.979 0.018 11 0 "[ . 1 . 2]" 1 516 1 61 ILE QG 1 62 ASP H 4.220 . 4.220 2.377 1.897 3.127 . 0 0 "[ . 1 . 2]" 1 517 1 61 ILE QG 1 62 ASP HA 3.620 . 3.620 3.112 2.878 3.632 0.012 11 0 "[ . 1 . 2]" 1 518 1 61 ILE QG 1 65 ASP QB . . 3.590 2.696 1.969 3.457 . 0 0 "[ . 1 . 2]" 1 519 1 61 ILE QG 1 71 THR HA 4.330 . 4.330 2.807 2.055 3.438 . 0 0 "[ . 1 . 2]" 1 520 1 62 ASP H 1 62 ASP QB 3.670 . 3.670 2.122 1.966 2.335 . 0 0 "[ . 1 . 2]" 1 521 1 62 ASP H 1 63 GLU H 4.650 . 4.650 2.717 2.461 2.890 . 0 0 "[ . 1 . 2]" 1 522 1 62 ASP H 1 63 GLU HA 5.560 . 5.560 5.362 5.140 5.521 . 0 0 "[ . 1 . 2]" 1 523 1 62 ASP HA 1 62 ASP QB . . 2.780 2.482 2.401 2.544 . 0 0 "[ . 1 . 2]" 1 524 1 62 ASP HA 1 63 GLU H 5.450 . 5.450 3.554 3.512 3.592 . 0 0 "[ . 1 . 2]" 1 525 1 62 ASP QB 1 63 GLU H 3.780 . 3.780 2.714 2.503 2.870 . 0 0 "[ . 1 . 2]" 1 526 1 62 ASP QB 1 65 ASP H 4.810 . 4.810 4.686 4.382 4.871 0.061 6 0 "[ . 1 . 2]" 1 527 1 63 GLU H 1 63 GLU QB 3.660 . 3.660 2.096 1.962 2.388 . 0 0 "[ . 1 . 2]" 1 528 1 63 GLU H 1 63 GLU QG 4.540 . 4.540 3.608 2.248 3.945 . 0 0 "[ . 1 . 2]" 1 529 1 63 GLU H 1 64 VAL H 4.560 . 4.560 2.768 2.591 2.958 . 0 0 "[ . 1 . 2]" 1 530 1 63 GLU QB 1 64 VAL QG 3.360 . 3.360 2.805 2.297 3.446 0.086 8 0 "[ . 1 . 2]" 1 531 1 64 VAL H 1 64 VAL QG . . 3.220 2.129 1.839 2.532 . 0 0 "[ . 1 . 2]" 1 532 1 64 VAL H 1 65 ASP H 4.610 . 4.610 2.380 2.097 2.715 . 0 0 "[ . 1 . 2]" 1 533 1 64 VAL HA 1 64 VAL QG 3.270 . 3.270 2.172 2.037 2.334 . 0 0 "[ . 1 . 2]" 1 534 1 64 VAL HA 1 65 ASP H 5.620 . 5.620 3.333 3.021 3.592 . 0 0 "[ . 1 . 2]" 1 535 1 64 VAL QG 1 76 GLU QB 4.390 . 4.390 2.962 1.884 3.716 . 0 0 "[ . 1 . 2]" 1 536 1 64 VAL QG 1 80 MET H 4.030 . 4.030 3.280 2.591 4.034 0.004 1 0 "[ . 1 . 2]" 1 537 1 64 VAL QG 1 80 MET HA 3.540 . 3.540 2.680 1.864 3.131 . 0 0 "[ . 1 . 2]" 1 538 1 64 VAL QG 1 80 MET QB 3.400 . 3.400 2.348 1.789 3.165 0.011 15 0 "[ . 1 . 2]" 1 539 1 64 VAL QG 1 80 MET ME 3.950 . 3.950 3.311 1.869 3.984 0.034 20 0 "[ . 1 . 2]" 1 540 1 64 VAL QG 1 80 MET QG 3.390 . 3.390 2.528 1.830 3.304 . 0 0 "[ . 1 . 2]" 1 541 1 64 VAL QG 1 83 ARG QD 3.810 . 3.810 2.529 1.807 3.839 0.029 8 0 "[ . 1 . 2]" 1 542 1 65 ASP H 1 65 ASP QB . . 3.660 2.294 2.142 2.645 . 0 0 "[ . 1 . 2]" 1 543 1 65 ASP HA 1 66 GLU H 4.380 . 4.380 2.909 2.202 3.594 . 0 0 "[ . 1 . 2]" 1 544 1 65 ASP QB 1 66 GLU H 6.000 . 6.000 2.773 1.755 4.036 0.045 5 0 "[ . 1 . 2]" 1 545 1 66 GLU H 1 66 GLU QB 3.580 . 3.580 2.646 2.033 3.092 . 0 0 "[ . 1 . 2]" 1 546 1 66 GLU H 1 66 GLU QG 4.270 . 4.270 3.459 2.591 4.331 0.061 1 0 "[ . 1 . 2]" 1 547 1 66 GLU H 1 67 ASP H . . 4.270 2.740 2.148 3.438 . 0 0 "[ . 1 . 2]" 1 548 1 66 GLU H 1 68 GLY H 6.000 . 6.000 4.478 3.883 5.640 . 0 0 "[ . 1 . 2]" 1 549 1 66 GLU HA 1 67 ASP H 5.040 . 5.040 3.006 2.678 3.495 . 0 0 "[ . 1 . 2]" 1 550 1 66 GLU HA 1 68 GLY H 5.400 . 5.400 3.926 3.273 4.813 . 0 0 "[ . 1 . 2]" 1 551 1 66 GLU QB 1 67 ASP H 4.510 . 4.510 3.756 2.988 4.074 . 0 0 "[ . 1 . 2]" 1 552 1 66 GLU QG 1 67 ASP H 5.180 . 5.180 4.575 3.530 4.773 . 0 0 "[ . 1 . 2]" 1 553 1 67 ASP H 1 68 GLY H 4.140 . 4.140 2.218 1.899 3.114 . 0 0 "[ . 1 . 2]" 1 554 1 67 ASP H 1 68 GLY QA 5.350 . 5.350 4.202 3.962 4.638 . 0 0 "[ . 1 . 2]" 1 555 1 67 ASP HA 1 68 GLY H 4.580 . 4.580 3.385 2.833 3.596 . 0 0 "[ . 1 . 2]" 1 556 1 67 ASP HA 1 69 SER H 5.650 . 5.650 4.618 4.235 5.047 . 0 0 "[ . 1 . 2]" 1 557 1 67 ASP HA 1 70 GLY H 6.000 . 6.000 6.041 5.842 6.227 0.227 14 0 "[ . 1 . 2]" 1 558 1 67 ASP QB 1 68 GLY H . . 5.520 3.572 2.339 4.063 . 0 0 "[ . 1 . 2]" 1 559 1 67 ASP QB 1 69 SER H 6.000 . 6.000 3.579 2.312 4.736 . 0 0 "[ . 1 . 2]" 1 560 1 67 ASP QB 1 70 GLY H 6.000 . 6.000 4.597 3.245 5.353 . 0 0 "[ . 1 . 2]" 1 561 1 68 GLY H 1 69 SER H . . 4.140 2.694 2.307 3.236 . 0 0 "[ . 1 . 2]" 1 562 1 68 GLY H 1 70 GLY H 5.940 . 5.940 3.493 2.723 4.569 . 0 0 "[ . 1 . 2]" 1 563 1 68 GLY QA 1 69 SER H 3.940 . 3.940 2.824 2.653 2.958 . 0 0 "[ . 1 . 2]" 1 564 1 69 SER H 1 69 SER QB . . 3.750 2.306 1.945 3.044 . 0 0 "[ . 1 . 2]" 1 565 1 69 SER H 1 70 GLY H 4.020 . 4.020 2.540 2.186 2.918 . 0 0 "[ . 1 . 2]" 1 566 1 69 SER H 1 70 GLY HA3 5.650 . 5.650 5.080 4.246 5.388 . 0 0 "[ . 1 . 2]" 1 567 1 69 SER H 1 71 THR H 6.000 . 6.000 4.597 3.934 5.310 . 0 0 "[ . 1 . 2]" 1 568 1 70 GLY H 1 70 GLY HA3 3.100 . 3.100 2.950 2.896 3.008 . 0 0 "[ . 1 . 2]" 1 569 1 70 GLY H 1 71 THR H 4.160 . 4.160 2.698 2.167 3.551 . 0 0 "[ . 1 . 2]" 1 570 1 70 GLY H 1 71 THR HB 5.460 . 5.460 5.342 5.029 5.598 0.138 6 0 "[ . 1 . 2]" 1 571 1 70 GLY HA2 1 71 THR H 4.880 . 4.880 3.206 2.760 3.600 . 0 0 "[ . 1 . 2]" 1 572 1 70 GLY HA3 1 71 THR H 4.240 . 4.240 3.251 2.648 3.551 . 0 0 "[ . 1 . 2]" 1 573 1 71 THR HA 1 71 THR MG 3.260 . 3.260 2.230 1.994 3.203 . 0 0 "[ . 1 . 2]" 1 574 1 71 THR HA 1 72 VAL H 4.200 . 4.200 2.277 2.222 2.353 . 0 0 "[ . 1 . 2]" 1 575 1 71 THR HB 1 72 VAL H 3.870 . 3.870 3.740 3.169 3.954 0.084 12 0 "[ . 1 . 2]" 1 576 1 71 THR MG 1 72 VAL H 4.160 . 4.160 2.855 2.135 3.839 . 0 0 "[ . 1 . 2]" 1 577 1 72 VAL H 1 72 VAL HB 3.910 . 3.910 2.175 2.002 2.377 . 0 0 "[ . 1 . 2]" 1 578 1 72 VAL H 1 72 VAL QG 3.450 . 3.450 2.604 2.202 2.883 . 0 0 "[ . 1 . 2]" 1 579 1 72 VAL H 1 73 ASP H 5.410 . 5.410 4.499 4.347 4.642 . 0 0 "[ . 1 . 2]" 1 580 1 72 VAL HA 1 72 VAL QG 3.230 . 3.230 2.043 1.926 2.114 . 0 0 "[ . 1 . 2]" 1 581 1 72 VAL HA 1 73 ASP H 2.920 . 2.920 2.208 2.166 2.243 . 0 0 "[ . 1 . 2]" 1 582 1 72 VAL HB 1 73 ASP H 5.360 . 5.360 4.479 4.393 4.561 . 0 0 "[ . 1 . 2]" 1 583 1 72 VAL QG 1 73 ASP H 4.190 . 4.190 2.849 2.428 3.142 . 0 0 "[ . 1 . 2]" 1 584 1 72 VAL QG 1 76 GLU H 4.440 . 4.440 4.147 3.709 4.468 0.028 13 0 "[ . 1 . 2]" 1 585 1 72 VAL QG 1 76 GLU QB . . 3.090 2.305 1.838 2.796 . 0 0 "[ . 1 . 2]" 1 586 1 72 VAL QG 1 76 GLU QG 4.200 . 4.200 3.761 3.061 4.277 0.077 17 0 "[ . 1 . 2]" 1 587 1 72 VAL QG 1 77 PHE H 3.210 . 3.210 2.788 2.438 3.227 0.017 9 0 "[ . 1 . 2]" 1 588 1 72 VAL QG 1 77 PHE HA . . 3.450 2.518 2.002 3.180 . 0 0 "[ . 1 . 2]" 1 589 1 72 VAL QG 1 77 PHE QB . . 3.370 2.355 1.975 3.170 . 0 0 "[ . 1 . 2]" 1 590 1 72 VAL QG 1 77 PHE QD 3.730 . 3.730 2.444 1.799 3.106 0.001 6 0 "[ . 1 . 2]" 1 591 1 73 ASP H 1 74 PHE H 6.000 . 6.000 4.454 4.355 4.582 . 0 0 "[ . 1 . 2]" 1 592 1 73 ASP H 1 75 ASP H 6.000 . 6.000 5.076 4.767 5.760 . 0 0 "[ . 1 . 2]" 1 593 1 73 ASP H 1 76 GLU QB 4.190 . 4.190 1.895 1.788 2.008 0.012 16 0 "[ . 1 . 2]" 1 594 1 73 ASP HA 1 74 PHE H 3.490 . 3.490 2.770 2.657 2.861 . 0 0 "[ . 1 . 2]" 1 595 1 73 ASP QB 1 74 PHE H 3.900 . 3.900 2.259 1.897 3.031 . 0 0 "[ . 1 . 2]" 1 596 1 74 PHE H 1 75 ASP H 4.650 . 4.650 2.763 2.553 2.849 . 0 0 "[ . 1 . 2]" 1 597 1 74 PHE H 1 75 ASP QB 4.340 . 4.340 4.378 4.348 4.451 0.111 2 0 "[ . 1 . 2]" 1 598 1 74 PHE HA 1 74 PHE QD 3.420 . 3.420 2.304 1.956 2.637 . 0 0 "[ . 1 . 2]" 1 599 1 74 PHE HA 1 74 PHE QE 5.190 . 5.190 4.398 4.201 4.636 . 0 0 "[ . 1 . 2]" 1 600 1 74 PHE HA 1 75 ASP H 5.300 . 5.300 3.588 3.555 3.604 . 0 0 "[ . 1 . 2]" 1 601 1 74 PHE HA 1 76 GLU H 6.000 . 6.000 4.694 4.356 4.900 . 0 0 "[ . 1 . 2]" 1 602 1 74 PHE QB 1 75 ASP H 4.400 . 4.400 2.349 2.099 2.483 . 0 0 "[ . 1 . 2]" 1 603 1 74 PHE QD 1 77 PHE QD 4.750 . 4.750 4.022 3.073 4.761 0.011 13 0 "[ . 1 . 2]" 1 604 1 74 PHE QD 1 78 LEU MD1 5.780 . 5.780 3.505 2.459 5.809 0.029 1 0 "[ . 1 . 2]" 1 605 1 74 PHE QE 1 78 LEU QD 3.690 . 3.690 2.770 2.190 3.375 . 0 0 "[ . 1 . 2]" 1 606 1 74 PHE HZ 1 78 LEU MD1 4.980 . 4.980 3.403 2.865 4.972 . 0 0 "[ . 1 . 2]" 1 607 1 74 PHE HZ 1 78 LEU QD 4.230 . 4.230 3.047 2.662 3.550 . 0 0 "[ . 1 . 2]" 1 608 1 74 PHE HZ 1 78 LEU MD2 4.600 . 4.600 3.670 2.905 4.568 . 0 0 "[ . 1 . 2]" 1 609 1 75 ASP H 1 75 ASP QB . . 3.430 2.088 1.937 2.210 . 0 0 "[ . 1 . 2]" 1 610 1 75 ASP H 1 76 GLU H . . 4.560 2.769 2.610 2.888 . 0 0 "[ . 1 . 2]" 1 611 1 75 ASP HA 1 78 LEU QB . . 3.290 2.980 2.320 3.312 0.022 11 0 "[ . 1 . 2]" 1 612 1 75 ASP HA 1 78 LEU QD . . 3.420 2.224 1.821 2.624 . 0 0 "[ . 1 . 2]" 1 613 1 75 ASP QB 1 76 GLU H . . 4.370 2.517 2.207 3.405 . 0 0 "[ . 1 . 2]" 1 614 1 76 GLU H 1 76 GLU QG 3.980 . 3.980 2.653 1.988 3.731 . 0 0 "[ . 1 . 2]" 1 615 1 76 GLU H 1 77 PHE H 4.890 . 4.890 2.670 2.566 2.789 . 0 0 "[ . 1 . 2]" 1 616 1 76 GLU H 1 78 LEU HG 6.000 . 6.000 5.909 5.673 6.029 0.029 12 0 "[ . 1 . 2]" 1 617 1 76 GLU HA 1 76 GLU QG 3.550 . 3.550 2.256 2.054 2.400 . 0 0 "[ . 1 . 2]" 1 618 1 76 GLU HA 1 76 GLU HG3 3.220 . 3.220 2.541 2.117 2.986 . 0 0 "[ . 1 . 2]" 1 619 1 76 GLU HA 1 79 VAL H 6.000 . 6.000 3.456 3.099 3.793 . 0 0 "[ . 1 . 2]" 1 620 1 76 GLU HA 1 79 VAL QG 3.250 . 3.250 2.576 1.766 3.194 0.034 16 0 "[ . 1 . 2]" 1 621 1 76 GLU QG 1 77 PHE H 5.050 . 5.050 4.258 4.029 4.486 . 0 0 "[ . 1 . 2]" 1 622 1 77 PHE H 1 77 PHE QB . . 3.840 2.136 1.993 2.180 . 0 0 "[ . 1 . 2]" 1 623 1 77 PHE H 1 78 LEU H 5.030 . 5.030 2.719 2.446 2.893 . 0 0 "[ . 1 . 2]" 1 624 1 77 PHE HA 1 77 PHE QD 3.530 . 3.530 2.546 1.971 2.893 . 0 0 "[ . 1 . 2]" 1 625 1 77 PHE QD 1 78 LEU QD 5.280 . 5.280 3.563 2.982 4.860 . 0 0 "[ . 1 . 2]" 1 626 1 78 LEU H 1 78 LEU QD 3.710 . 3.710 3.075 2.879 3.432 . 0 0 "[ . 1 . 2]" 1 627 1 78 LEU H 1 78 LEU HG 4.370 . 4.370 2.437 2.041 3.425 . 0 0 "[ . 1 . 2]" 1 628 1 78 LEU H 1 79 VAL H . . 5.150 2.708 2.503 2.886 . 0 0 "[ . 1 . 2]" 1 629 1 78 LEU HA 1 78 LEU QD . . 3.080 2.204 1.888 2.939 . 0 0 "[ . 1 . 2]" 1 630 1 78 LEU HA 1 78 LEU HG 4.500 . 4.500 2.770 2.516 3.550 . 0 0 "[ . 1 . 2]" 1 631 1 78 LEU QB 1 78 LEU QD . . 2.830 1.878 1.805 1.925 . 0 0 "[ . 1 . 2]" 1 632 1 78 LEU QB 1 79 VAL H 4.530 . 4.530 2.593 2.360 3.342 . 0 0 "[ . 1 . 2]" 1 633 1 79 VAL H 1 79 VAL HB 3.580 . 3.580 2.403 2.158 3.591 0.011 4 0 "[ . 1 . 2]" 1 634 1 79 VAL H 1 79 VAL QG 2.820 . 2.820 2.158 1.805 2.511 . 0 0 "[ . 1 . 2]" 1 635 1 79 VAL H 1 80 MET H . . 5.310 2.678 2.521 2.980 . 0 0 "[ . 1 . 2]" 1 636 1 79 VAL HA 1 79 VAL QG . . 2.780 2.142 2.039 2.383 . 0 0 "[ . 1 . 2]" 1 637 1 79 VAL HA 1 82 VAL H 3.870 . 3.870 3.672 3.250 3.881 0.011 8 0 "[ . 1 . 2]" 1 638 1 79 VAL HA 1 82 VAL QG 3.200 . 3.200 2.315 1.865 3.161 . 0 0 "[ . 1 . 2]" 1 639 1 79 VAL HB 1 80 MET H 4.130 . 4.130 2.946 2.258 4.128 . 0 0 "[ . 1 . 2]" 1 640 1 79 VAL QG 1 83 ARG QD 3.800 . 3.800 2.804 1.794 3.857 0.057 4 0 "[ . 1 . 2]" 1 641 1 79 VAL QG 1 83 ARG QG . . 3.150 3.030 2.720 3.203 0.053 4 0 "[ . 1 . 2]" 1 642 1 80 MET H 1 81 MET H 5.430 . 5.430 2.627 2.473 2.821 . 0 0 "[ . 1 . 2]" 1 643 1 80 MET HA 1 80 MET QG . . 3.610 2.321 1.996 3.336 . 0 0 "[ . 1 . 2]" 1 644 1 80 MET HA 1 83 ARG H 4.300 . 4.300 3.517 3.351 3.792 . 0 0 "[ . 1 . 2]" 1 645 1 80 MET HA 1 83 ARG QD 4.380 . 4.380 2.696 1.833 4.024 . 0 0 "[ . 1 . 2]" 1 646 1 80 MET ME 1 80 MET QG 3.440 . 3.440 2.179 1.925 2.402 . 0 0 "[ . 1 . 2]" 1 647 1 81 MET H 1 81 MET ME 4.220 . 4.220 4.180 3.629 4.299 0.079 4 0 "[ . 1 . 2]" 1 648 1 81 MET H 1 81 MET QG 4.300 . 4.300 2.734 1.983 4.033 . 0 0 "[ . 1 . 2]" 1 649 1 81 MET HA 1 81 MET ME 3.400 . 3.400 3.044 2.304 3.448 0.048 12 0 "[ . 1 . 2]" 1 650 1 81 MET HA 1 81 MET QG 3.720 . 3.720 2.735 2.185 3.188 . 0 0 "[ . 1 . 2]" 1 651 1 81 MET HA 1 84 CYS H 3.870 . 3.870 3.624 3.279 3.902 0.032 1 0 "[ . 1 . 2]" 1 652 1 81 MET HA 1 84 CYS QB 3.940 . 3.940 3.131 2.573 3.891 . 0 0 "[ . 1 . 2]" 1 653 1 81 MET QB 1 82 VAL H 5.180 . 5.180 2.429 2.295 2.633 . 0 0 "[ . 1 . 2]" 1 654 1 81 MET ME 2 5 ILE MG 4.000 . 4.000 4.009 3.841 4.106 0.106 10 0 "[ . 1 . 2]" 1 655 1 81 MET ME 2 7 ALA MB 4.000 . 4.000 2.963 1.820 3.939 . 0 0 "[ . 1 . 2]" 1 656 1 82 VAL H 1 82 VAL HB 4.270 . 4.270 2.823 2.111 3.586 . 0 0 "[ . 1 . 2]" 1 657 1 82 VAL H 1 82 VAL QG 2.790 . 2.790 2.078 1.780 2.524 0.020 2 0 "[ . 1 . 2]" 1 658 1 82 VAL HA 1 82 VAL HB . . 3.030 2.621 2.453 3.042 0.012 18 0 "[ . 1 . 2]" 1 659 1 82 VAL HA 1 82 VAL QG . . 3.030 2.209 2.037 2.328 . 0 0 "[ . 1 . 2]" 1 660 1 82 VAL HA 1 85 MET H 4.140 . 4.140 3.347 2.936 3.875 . 0 0 "[ . 1 . 2]" 1 661 1 82 VAL HA 1 85 MET ME 3.450 . 3.450 2.193 1.801 2.707 . 0 0 "[ . 1 . 2]" 1 662 1 82 VAL HB 1 83 ARG H 5.020 . 5.020 3.679 2.630 4.053 . 0 0 "[ . 1 . 2]" 1 663 1 82 VAL QG 1 83 ARG QG 3.460 . 3.460 2.865 2.211 3.505 0.045 2 0 "[ . 1 . 2]" 1 664 1 82 VAL QG 1 85 MET ME 2.580 . 2.580 2.397 1.866 2.616 0.036 2 0 "[ . 1 . 2]" 1 665 1 83 ARG H 1 83 ARG QD 5.550 . 5.550 3.895 3.371 4.627 . 0 0 "[ . 1 . 2]" 1 666 1 83 ARG H 1 83 ARG QG . . 3.980 2.705 2.177 3.263 . 0 0 "[ . 1 . 2]" 1 667 1 83 ARG HA 1 83 ARG QG . . 3.590 2.252 1.938 3.319 . 0 0 "[ . 1 . 2]" 1 668 1 83 ARG HA 1 84 CYS H 5.270 . 5.270 3.563 3.490 3.595 . 0 0 "[ . 1 . 2]" 1 669 1 83 ARG QB 1 84 CYS H 4.890 . 4.890 2.649 2.327 3.636 . 0 0 "[ . 1 . 2]" 1 670 1 83 ARG QG 1 84 CYS H 5.920 . 5.920 4.181 2.259 4.440 . 0 0 "[ . 1 . 2]" 1 671 1 84 CYS H 1 84 CYS QB 3.400 . 3.400 2.157 1.949 2.311 . 0 0 "[ . 1 . 2]" 1 672 1 84 CYS QB 2 7 ALA MB 3.960 . 3.960 3.423 2.287 4.024 0.064 9 0 "[ . 1 . 2]" 1 673 1 85 MET H 1 85 MET QG 4.070 . 4.070 3.208 1.989 4.002 . 0 0 "[ . 1 . 2]" 1 674 1 85 MET HA 1 85 MET QG 3.980 . 3.980 2.293 1.977 3.323 . 0 0 "[ . 1 . 2]" 1 675 1 86 LYS HA 1 86 LYS QG 3.450 . 3.450 2.312 1.913 3.336 . 0 0 "[ . 1 . 2]" 1 676 1 86 LYS HA 1 87 ASP H 4.920 . 4.920 2.769 2.191 3.617 . 0 0 "[ . 1 . 2]" 1 677 1 86 LYS QB 1 87 ASP H 6.000 . 6.000 3.409 1.954 4.049 . 0 0 "[ . 1 . 2]" 1 678 1 88 ASP H 1 89 SER H 5.530 . 5.530 3.805 1.961 4.640 . 0 0 "[ . 1 . 2]" 1 679 1 88 ASP HA 1 89 SER H . . 3.720 2.830 2.196 3.609 . 0 0 "[ . 1 . 2]" 1 680 1 88 ASP QB 1 89 SER H 5.160 . 5.160 3.124 1.948 3.943 . 0 0 "[ . 1 . 2]" 1 681 1 89 SER HA 1 89 SER QB 2.660 . 2.660 2.423 2.191 2.548 . 0 0 "[ . 1 . 2]" 1 682 2 4 ARG HA 2 5 ILE H 4.000 . 6.000 2.672 2.197 3.589 . 0 0 "[ . 1 . 2]" 1 683 2 5 ILE HA 2 6 SER H 4.000 . 6.000 2.596 2.203 3.592 . 0 0 "[ . 1 . 2]" 1 684 2 6 SER HA 2 7 ALA H 4.000 . 6.000 2.408 2.207 2.842 . 0 0 "[ . 1 . 2]" 1 685 2 7 ALA HA 2 8 ASP H 4.000 . 6.000 3.584 3.537 3.602 . 0 0 "[ . 1 . 2]" 1 686 2 7 ALA HA 2 10 MET H 3.000 . 4.000 3.745 3.384 4.026 0.026 1 0 "[ . 1 . 2]" 1 687 2 7 ALA MB 2 8 ASP H 4.000 . 6.000 2.393 2.067 2.717 . 0 0 "[ . 1 . 2]" 1 688 2 8 ASP H 2 9 ALA H 4.000 . 6.000 2.756 2.562 2.898 . 0 0 "[ . 1 . 2]" 1 689 2 8 ASP HA 2 9 ALA H 4.000 . 6.000 3.577 3.544 3.610 . 0 0 "[ . 1 . 2]" 1 690 2 8 ASP HA 2 11 MET H 3.500 . 5.000 3.659 3.235 4.240 . 0 0 "[ . 1 . 2]" 1 691 2 8 ASP QB 2 9 ALA H 4.000 . 6.000 3.010 2.285 3.507 . 0 0 "[ . 1 . 2]" 1 692 2 9 ALA H 2 10 MET H 4.000 . 6.000 2.744 2.390 2.962 . 0 0 "[ . 1 . 2]" 1 693 2 9 ALA HA 2 12 GLN H 4.000 . 6.000 3.758 3.555 4.165 . 0 0 "[ . 1 . 2]" 1 694 2 9 ALA MB 2 10 MET H 4.000 . 6.000 2.384 2.178 2.624 . 0 0 "[ . 1 . 2]" 1 695 2 11 MET HA 2 12 GLN H 4.000 . 6.000 3.582 3.536 3.607 . 0 0 "[ . 1 . 2]" 1 696 2 11 MET HA 2 14 LEU H 3.500 . 5.000 3.643 3.301 4.186 . 0 0 "[ . 1 . 2]" 1 697 2 12 GLN H 2 13 ALA H 4.000 . 6.000 2.681 2.510 2.831 . 0 0 "[ . 1 . 2]" 1 698 2 12 GLN HA 2 13 ALA H 4.000 . 6.000 3.560 3.498 3.587 . 0 0 "[ . 1 . 2]" 1 699 2 12 GLN HA 2 15 LEU H 3.500 . 5.000 3.873 3.091 4.635 . 0 0 "[ . 1 . 2]" 1 700 2 12 GLN QB 2 13 ALA H 4.000 . 6.000 2.701 2.456 3.623 . 0 0 "[ . 1 . 2]" 1 701 2 14 LEU H 2 15 LEU H 4.000 . 6.000 2.601 2.341 2.872 . 0 0 "[ . 1 . 2]" 1 702 2 14 LEU H 2 15 LEU QB 4.000 . 6.000 4.430 3.628 4.995 . 0 0 "[ . 1 . 2]" 1 703 2 14 LEU H 2 15 LEU HG 4.000 . 6.000 5.451 4.253 6.039 0.039 15 0 "[ . 1 . 2]" 1 704 2 16 GLY QA 2 19 ALA H 3.500 . 5.000 4.594 3.691 5.055 0.055 2 0 "[ . 1 . 2]" 1 stop_ save_
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